data_1rml_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 1rml _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 ' 26' ' ' LYS . . . . . 0.472 ' HE3' ' CA ' ' A' ' 27' ' ' LEU . 1.9 tptt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.472 ' CA ' ' HE3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -168.48 150.03 4.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.502 HD23 ' CG ' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -109.51 157.71 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.504 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 67.4 t80 -143.32 145.41 32.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -93.64 143.73 26.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 108.306 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 2.7 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.531 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 2.8 m80 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 74.4 m-85 -133.1 99.06 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.561 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -37.61 150.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.495 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 6.1 ptp180 -146.82 144.32 29.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.496 ' CG2' ' OG ' ' A' ' 72' ' ' SER . 0.9 OUTLIER -118.1 116.23 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -87.12 142.13 33.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.04 8.39 2.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.84 -28.09 16.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.22 24.94 3.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.477 ' CB ' HD13 ' A' ' 40' ' ' LEU . 2.3 m -125.68 145.34 50.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.444 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 2.1 t -118.07 169.64 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.444 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 172.41 -171.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' CA ' HD23 ' A' ' 125' ' ' LEU . . . -135.89 142.69 14.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.476 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 21.9 m -117.12 124.72 49.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -43.12 -26.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.237 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -152.47 118.01 5.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -41.62 120.59 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 52' ' ' SER . 1.5 t 179.9 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.495 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 3.0 t0 -142.52 -176.65 4.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.437 ' NE2' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -54.62 -45.01 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 7.8 m-70 -168.9 103.17 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.567 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.61 16.74 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 151.47 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mt -141.15 170.57 15.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -176.93 142.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -109.91 160.65 16.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.423 ' O ' ' OG ' ' A' ' 61' ' ' SER . 3.3 t -144.87 55.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.524 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -41.41 131.86 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -124.16 -0.88 8.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.538 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 159.6 136.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.43 141.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 67.71 11.04 59.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' O ' ' O ' ' A' ' 64' ' ' SER . 3.7 tt0 -163.51 101.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.524 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 25.2 m -131.11 167.48 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CD1' HD22 ' A' ' 98' ' ' LEU . 22.6 m-85 -115.87 165.34 13.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.0 mt -147.71 127.68 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.622 ' HZ3' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -134.52 114.51 12.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.622 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 6.3 t -66.78 71.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 73' ' ' THR . 2.1 t -38.13 109.96 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.427 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.594 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.4 mm-40 168.56 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.08 -24.18 9.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.43 47.37 1.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 1.1 mt-30 -109.61 115.37 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 43.7 m-85 -85.79 118.29 25.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 tp -59.84 106.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -130.42 176.76 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.52 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 1.2 ttt -139.02 105.77 5.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.623 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 22.7 m-20 -64.52 166.69 8.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.468 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 78.1 m -51.77 -20.41 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.07 -11.88 61.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.461 ' O ' ' CE ' ' A' ' 81' ' ' MET . . . 72.3 21.42 79.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.462 HD11 ' CD ' ' A' ' 133' ' ' ARG . 4.8 tt -111.18 122.67 48.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.456 HD11 ' CE ' ' A' ' 81' ' ' MET . 1.5 mp -46.88 126.55 8.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.3 p90 -148.39 169.21 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -91.36 149.76 20.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.53 112.64 6.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 0.726 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -3.72 26.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.439 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 7.5 p -115.15 99.51 52.42 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.06 102.04 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.8 OUTLIER -157.07 -153.18 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.68 69.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' ASN . 3.8 tt0 -179.11 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -72.79 -33.3 66.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 69' ' ' TYR . 2.3 mt -52.31 170.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.536 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -150.54 98.0 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -41.85 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.471 ' CB ' HG23 ' A' ' 68' ' ' VAL . 17.9 tt0 -112.35 143.41 43.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.516 ' NH2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -142.8 -95.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -175.87 119.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.474 ' CB ' HG22 ' A' ' 110' ' ' THR . 5.0 tp10 -97.02 -46.48 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -120.66 -103.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.574 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.8 t30 -167.36 47.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 13.9 m170 -172.04 -64.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.591 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.597 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 8.6 m-85 -59.72 -156.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.573 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 7.6 m120 -163.69 77.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.474 HG22 ' CB ' ' A' ' 104' ' ' GLU . 71.2 p -68.36 110.37 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.573 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 12.2 m-85 -86.48 -168.5 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.516 ' CD1' ' NH2' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -160.68 114.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.473 ' OG ' ' ND1' ' A' ' 116' ' ' HIS . 31.7 t -37.62 95.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 112' ' ' ILE . 1.2 tttm -59.72 -15.53 20.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.472 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -78.52 -19.73 52.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.623 ' CE1' ' O ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -153.87 55.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.2 -21.18 60.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -63.07 -17.86 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -110.74 0.03 17.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.1 m120 53.73 50.9 16.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.577 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 39.9 m0 -85.44 81.11 8.86 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CD2' HD11 ' A' ' 144' ' ' ILE . 16.5 m-85 -55.96 179.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.536 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 7.1 p -113.88 96.47 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 131' ' ' CYS . . . -148.25 -176.57 21.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 126' ' ' LYS . 1.1 mp -142.81 126.81 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 128' ' ' ASN . 6.6 tttt -36.46 128.34 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.476 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.85 59.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 126' ' ' LYS . 2.8 m120 -150.05 -44.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 135.63 64.31 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 m 169.92 114.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . 0.449 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 1.2 t -58.41 -178.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 131' ' ' CYS . 0.0 OUTLIER -111.49 -167.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.462 ' CD ' HD11 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -170.12 110.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.545 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 94.17 -143.37 16.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.503 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.04 93.28 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 169.39 41.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -148.95 59.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -120.56 130.78 54.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.623 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 5.3 p90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.623 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 2.4 pt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.597 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 1.1 mt -52.88 91.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.561 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 1.8 m-85 -88.98 119.89 29.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.561 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -102.37 106.83 50.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 134.29 17.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -133.99 63.94 64.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.491 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.05 164.9 32.35 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 1.8 tptt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 HD22 ' NH2' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -163.24 129.53 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.37 162.18 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.434 ' HD1' ' CZ ' ' A' ' 36' ' ' PHE . 59.3 t80 -153.39 129.9 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 151.94 39.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.417 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 5.6 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 62.3 m-85 -137.69 102.95 4.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -38.42 145.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.49 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.3 OUTLIER -143.86 123.81 13.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.495 ' CG2' ' OG ' ' A' ' 72' ' ' SER . 0.9 OUTLIER -110.55 146.47 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -114.2 138.14 22.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.02 7.28 2.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.04 -43.33 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.41 49.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.459 ' CB ' HD21 ' A' ' 40' ' ' LEU . 1.9 m -149.95 164.59 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 110.394 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -149.25 158.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -175.84 -159.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.18 146.84 17.56 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.49 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.1 m -126.24 129.13 48.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.737 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.24 -44.16 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 51' ' ' ARG . 4.4 m-20 -134.26 107.66 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.548 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -34.31 123.0 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 52' ' ' SER . 1.4 t 179.75 69.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . 13.4 t0 -141.08 -176.03 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.708 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 3.4 mp0 -55.69 -45.82 77.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.507 ' CE1' ' HG3' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -166.28 102.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.61 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.506 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -107.29 6.28 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' NE2' ' CE1' ' A' ' 55' ' ' HIS . 2.4 mt-30 -48.9 149.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.526 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -144.87 177.52 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.428 ' NE2' ' HG2' ' A' ' 26' ' ' LYS . 17.8 tp60 -175.79 153.47 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.499 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -120.27 158.67 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.3 t -145.57 49.83 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.484 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -37.95 126.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.73 -2.32 12.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 166.23 176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 m -74.13 152.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 101' ' ' GLU . . . 49.85 24.13 5.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.476 ' CG ' ' HD2' ' A' ' 114' ' ' LYS . 5.0 tt0 -172.2 109.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.484 ' CG1' ' HA ' ' A' ' 62' ' ' ALA . 9.5 m -136.76 168.5 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.61 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 17.2 m-85 -111.21 170.43 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.474 HG23 ' CB ' ' A' ' 79' ' ' LEU . 13.3 mt -155.92 128.13 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.75 ' HZ3' ' N ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -135.23 126.49 28.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.75 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 4.5 t -70.93 90.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -49.67 90.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.507 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 2.5 tt0 -171.02 -70.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.78 -42.31 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.439 ' HA2' ' NZ ' ' A' ' 71' ' ' LYS . . . 136.04 49.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.453 1.095 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.463 ' N ' ' HZ1' ' A' ' 71' ' ' LYS . 2.3 mt-30 -105.3 115.65 30.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 49.0 m-85 -87.05 128.03 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' CB ' HG23 ' A' ' 70' ' ' ILE . 8.4 tp -69.75 109.93 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -130.54 172.28 12.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ttm -135.73 119.36 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -75.9 -177.09 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.9 m -62.48 -12.5 22.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -89.91 -1.99 58.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.489 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 63.13 14.6 54.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -93.35 107.85 19.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.482 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 5.5 mp -39.34 128.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 4.2 p90 -150.21 166.21 30.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -80.86 153.49 34.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.117 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.66 113.24 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.95 2.66 16.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 92' ' ' THR . 9.6 p -115.18 96.18 44.6 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.461 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.95 101.57 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.461 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.3 m-80 -164.37 -150.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.54 59.92 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' ASN . 3.9 tt0 -167.83 -41.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -84.3 -19.95 32.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.61 ' CD2' ' CZ ' ' A' ' 69' ' ' TYR . 2.9 mm? -64.14 167.36 6.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -146.91 97.44 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.509 ' CD1' ' CB ' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -41.94 101.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.458 ' CB ' HG23 ' A' ' 68' ' ' VAL . 3.6 tm-20 -112.45 143.2 43.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.454 ' NH2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -140.49 -98.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.405 HD21 ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -178.37 121.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' N ' HD21 ' A' ' 103' ' ' LEU . 4.4 tp10 -96.93 -61.56 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -103.13 -109.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.608 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 7.3 m120 -161.63 45.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 19.5 m170 -167.69 -60.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.625 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.612 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 6.4 m-85 -66.74 -154.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.622 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 67.6 m-20 -169.93 86.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.481 ' CG2' HG13 ' A' ' 144' ' ' ILE . 75.6 p -71.42 124.19 24.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.363 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.622 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 13.5 m-85 -99.24 -173.38 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.596 HD13 ' CE1' ' A' ' 122' ' ' PHE . 1.2 mt -159.47 134.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.461 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 9.9 t -47.43 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.476 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 1.8 tttm -63.98 -16.86 62.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.664 ' CE ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -73.89 -17.9 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.664 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -172.93 66.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.509 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -74.86 -13.99 60.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.32 -15.68 11.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -105.11 1.05 28.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 137' ' ' THR . 29.0 m120 59.25 41.14 20.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 41.3 m0 -76.43 104.71 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.609 ' CD2' HD11 ' A' ' 144' ' ' ILE . 15.2 m-85 -86.75 174.89 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.579 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 7.8 p -111.98 63.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.31 133.08 10.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -99.04 122.42 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 125' ' ' LEU . 50.9 tttt -35.98 131.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.518 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -69.34 58.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 126' ' ' LYS . 2.6 m120 -148.36 -45.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 136.52 67.31 0.06 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 t 175.27 133.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.966 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.43 170.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.64 168.08 9.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.5 OUTLIER -106.15 141.84 36.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.621 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.06 -56.8 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.07 49.63 2.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.1 38.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -123.3 66.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.493 ' ND1' ' N ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER -133.49 135.46 44.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.6 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.672 ' HB3' ' CD1' ' A' ' 144' ' ' ILE . 26.8 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.672 ' CD1' ' HB3' ' A' ' 139' ' ' TYR . 2.3 pt . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.612 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 0.7 OUTLIER -53.06 91.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 123' ' ' VAL . 2.1 m-30 -92.19 120.5 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.568 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.7 OUTLIER -101.69 107.74 52.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 125.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.033 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.2 pp -130.67 68.53 81.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.494 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.98 165.0 32.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HG3' ' CA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 149' ' ' LEU . 2.2 pp -148.74 111.46 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -53.57 158.0 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.502 ' HD1' ' CZ ' ' A' ' 36' ' ' PHE . 43.5 t80 -146.45 131.64 18.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -71.56 128.06 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.601 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 30.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 63.8 m80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE2' ' HG3' ' A' ' 51' ' ' ARG . 52.5 m-85 -137.04 102.68 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.581 HD13 ' CZ ' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -44.72 162.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.09 172.0 16.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.483 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -149.94 112.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 44' ' ' THR . 0.5 OUTLIER -88.47 140.59 30.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 8.91 2.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -94.42 -30.61 14.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.28 30.99 1.61 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.473 ' CG2' HD13 ' A' ' 40' ' ' LEU . 2.9 m -130.2 145.06 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 3.0 t -120.99 171.97 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.469 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.46 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.46 138.99 10.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' PHE . 1.2 m -111.33 126.18 54.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -52.75 -46.38 67.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 51' ' ' ARG . 3.4 m-20 -128.13 100.22 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.588 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -30.93 118.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 52' ' ' SER . 1.2 t 179.45 69.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -139.96 -173.57 3.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -58.03 -43.21 86.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.463 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . 14.1 m-70 -169.98 104.52 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.617 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -110.19 17.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -74.02 134.28 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 37' ' ' LEU . 3.7 mp -127.08 -177.68 4.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -173.13 150.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.42 163.82 13.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.8 t -145.5 54.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.043 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.35 126.6 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -119.0 -0.88 11.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.76 135.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.13 135.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.53 -2.78 61.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' O ' ' O ' ' A' ' 64' ' ' SER . 3.2 tt0 -149.96 103.72 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 0.801 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 99' ' ' PHE . 28.4 m -128.12 163.97 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.524 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 10.5 m-85 -116.71 169.9 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 87.1 mt -146.46 128.0 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -137.57 108.55 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.553 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 4.9 t -65.48 88.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 73' ' ' THR . 12.9 t -59.62 100.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 75' ' ' THR . 10.7 pt-20 -176.82 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 4.4 t -122.39 -32.94 3.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.417 ' N ' HG21 ' A' ' 75' ' ' THR . . . 114.54 46.79 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.14 122.03 42.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 52.4 m-85 -83.9 152.38 24.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -93.26 127.34 38.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -147.23 -166.5 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.36 93.64 1.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.596 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 63.1 m-20 -46.59 171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.443 ' OG1' ' NZ ' ' A' ' 115' ' ' LYS . 1.5 m -71.61 -10.96 60.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.28 -5.78 53.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.15 20.71 77.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 tt -113.0 122.22 46.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.462 ' CD2' HG21 ' A' ' 123' ' ' VAL . 3.0 mp -50.15 125.78 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -150.82 166.05 31.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.01 147.59 17.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.7 t -135.4 148.32 49.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.54 0.74 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.471 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.0 p -117.84 88.75 31.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.485 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -74.97 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -153.02 -151.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.33 69.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 94' ' ' ASN . 22.1 tt0 179.99 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 2.0 t -80.56 -32.7 36.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.524 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -53.21 175.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.2 OUTLIER -152.58 122.34 6.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 100.94 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.8 OUTLIER -80.21 134.11 36.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.567 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.5 OUTLIER -144.48 74.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.567 ' C ' ' O ' ' A' ' 102' ' ' ARG . 14.1 tp -27.34 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -57.07 -42.98 81.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.6 tt0 -130.23 -105.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 6.1 t30 -138.36 38.43 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 13.2 m-70 179.99 -67.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.601 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 10.4 m-85 -53.58 102.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 15.3 m-20 -82.86 65.8 8.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.8 p -48.39 97.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 101' ' ' GLU . 12.2 m-85 -81.53 -174.48 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.605 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -166.82 125.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 112' ' ' ILE . 11.2 t -35.44 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 112' ' ' ILE . 25.7 tttm -56.71 -18.6 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -90.61 -2.22 57.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.772 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 11.8 m-70 -152.94 39.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.605 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.2 -16.36 62.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.74 -25.39 53.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.3 -2.88 32.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 66.67 25.14 9.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.772 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 22.8 m0 -62.94 82.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.037 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 144' ' ' ILE . 15.7 m-85 -60.73 -171.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 3.8 p -128.42 19.68 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.428 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -85.98 113.44 3.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.626 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -68.26 120.79 14.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.627 ' O ' ' N ' ' A' ' 128' ' ' ASN . 1.5 tttt -20.89 114.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.26 61.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.6 t-20 -150.56 -41.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.63 69.1 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.72 135.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 132' ' ' LYS . 42.1 t -52.49 157.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.442 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 0.8 OUTLIER -126.31 159.14 33.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.472 ' CB ' ' HD2' ' A' ' 135' ' ' PRO . 0.3 OUTLIER -92.8 154.17 18.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -44.24 -50.51 7.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.3 Cg_endo -75.01 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 170.4 39.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 2.7 p -140.27 104.58 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.425 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.603 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -145.64 -177.02 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.427 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.63 HD11 ' CE2' ' A' ' 122' ' ' PHE . 19.9 pt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 108' ' ' TYR . 4.7 mp -65.98 111.83 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.581 ' CZ ' HD13 ' A' ' 37' ' ' LEU . 17.6 m-85 -124.44 126.03 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 107' ' ' HIS . 2.3 tm? -117.22 105.27 49.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 137.38 21.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 149' ' ' LEU . 3.0 pp -123.14 79.04 52.02 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.504 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.1 Cg_endo -75.07 -178.6 4.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CE ' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CE ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -167.27 157.52 11.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.14 151.14 22.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' HB2' ' CD2' ' A' ' 149' ' ' LEU . 90.0 t80 -132.37 127.3 35.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.13 148.44 26.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 108.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.445 ' HA ' ' O ' ' A' ' 48' ' ' THR . 56.1 m80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 50' ' ' ASP . 51.4 m-85 -109.77 97.67 7.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.551 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 1.0 OUTLIER -37.44 133.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NH2' ' CG2' ' A' ' 48' ' ' THR . 3.8 ptp180 -131.7 169.21 16.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.462 HG22 ' CB ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -140.28 116.78 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' CG2' ' A' ' 44' ' ' THR . 0.9 OUTLIER -85.22 141.51 37.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.574 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.97 10.85 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.819 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.56 -28.62 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.57 17.68 4.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.466 ' CG2' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.05 128.33 51.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.392 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.543 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -106.99 166.72 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.543 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 169.85 -172.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' HD21 ' A' ' 125' ' ' LEU . . . -128.1 151.12 18.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.512 ' CG2' ' NH2' ' A' ' 38' ' ' ARG . 27.7 m -125.95 122.85 37.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' THR . 2.2 ttt-85 -35.92 -34.29 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.591 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -152.37 116.29 4.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.555 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -24.68 94.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.1 p -125.69 40.2 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.489 ' CB ' HG23 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -143.56 144.4 31.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.506 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 0.6 OUTLIER -63.02 -10.22 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -143.67 92.95 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.61 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.489 HG23 ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -129.85 6.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -75.15 154.67 37.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -145.62 171.74 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' ' 71' ' ' LYS . 1.7 tp60 -164.66 138.39 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.544 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -101.56 160.83 14.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.36 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.4 t -146.93 50.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.48 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -38.72 124.9 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.56 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -114.5 -1.95 13.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.79 178.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.437 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -81.28 150.57 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 100' ' ' LEU . . . 57.99 21.43 45.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 65' ' ' VAL . 1.2 pm0 -175.2 121.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.48 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 19.8 m -139.9 165.51 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.645 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 16.0 m-85 -103.09 176.28 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.518 ' CG1' ' O ' ' A' ' 69' ' ' TYR . 10.4 mt -157.88 127.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -136.63 125.15 23.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' GLU . 47.8 t -80.12 72.35 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 73' ' ' THR . 12.9 t -37.37 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 72' ' ' SER . 0.9 OUTLIER 173.05 -51.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 76' ' ' GLY . 70.5 p -97.83 -110.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.424 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -172.2 58.16 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.99 154.55 24.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 0.739 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.578 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 5.2 m-85 -113.5 134.72 54.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 7.2 tp -46.89 146.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -165.5 176.15 8.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.26 113.75 8.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -72.0 178.57 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.422 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 4.1 m -61.1 -13.71 19.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.75 12.87 11.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.468 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 46.57 27.16 2.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -107.55 110.15 21.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.747 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 81' ' ' MET . 3.0 mp -39.72 136.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 2.0 p90 -163.19 146.93 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -79.81 142.01 24.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.34 122.6 22.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -0.08 19.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.098 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' A' ' 92' ' ' THR . 9.2 p -115.06 94.84 40.08 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.478 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.0 105.43 2.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.768 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.478 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.1 m-80 -161.11 -153.68 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.98 67.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.478 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 20.8 tt0 -175.08 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.476 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 1.7 t -65.17 -26.53 68.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 108.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.645 ' CD2' ' CZ ' ' A' ' 69' ' ' TYR . 1.9 mm? -51.71 163.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.437 ' O ' HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -144.35 104.82 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -53.21 96.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.421 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -89.48 163.05 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.516 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER 179.68 93.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.5 OUTLIER -31.04 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 102' ' ' ARG . 4.0 tm-20 -63.52 -58.2 7.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -101.34 -113.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.599 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 28.5 t30 -142.1 43.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 26.2 m-70 -175.0 -69.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.615 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 8.1 m-85 -47.2 176.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.627 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 16.3 m120 -143.73 61.25 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.485 ' CG2' HG13 ' A' ' 144' ' ' ILE . 40.7 p -48.91 129.5 17.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.627 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 2.8 m-85 -112.13 179.41 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.559 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 11.1 mt -154.82 136.21 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.574 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 9.0 t -44.14 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.434 ' HD2' ' CB ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -68.8 -9.15 49.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.478 ' HG3' ' CB ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -83.83 -13.71 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.574 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -174.55 62.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.74 -4.57 32.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.85 -10.46 20.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.517 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.1 OUTLIER -115.39 5.35 14.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.447 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.3 OUTLIER 55.97 39.1 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.6 m0 -71.04 92.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 107.988 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.57 ' CD2' HD11 ' A' ' 144' ' ' ILE . 12.6 m-85 -75.52 178.09 6.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 123' ' ' VAL . 14.1 p -118.89 95.7 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -145.54 174.4 25.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -135.29 118.05 16.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 128' ' ' ASN . 2.9 tttt -33.65 128.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.09 58.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.0 OUTLIER -149.14 -44.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 138.78 66.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.84 128.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 109.989 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.06 -177.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 108.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.94 173.75 6.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' GLY . 2.6 ttt180 -109.92 152.25 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.59 -58.18 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.499 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.98 51.9 2.91 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.46 38.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -127.05 63.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.406 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.496 ' ND1' ' N ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER -132.74 131.12 40.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.601 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.625 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 9.0 p90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.625 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 2.2 pt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.615 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 1.7 mt -49.81 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.551 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 1.4 m-85 -91.94 119.53 31.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.528 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -106.7 108.83 62.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.7 24.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.585 1.834 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 29' ' ' TYR . 1.4 pp -134.11 62.92 59.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 149' ' ' LEU . 18.3 Cg_endo -75.03 167.2 27.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.524 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.534 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -139.04 107.04 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -88.09 129.35 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -121.59 130.28 53.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -75.93 135.81 40.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.293 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.414 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 71.0 m80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 15.2 m-85 -119.04 105.21 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.506 HD13 ' CE2' ' A' ' 146' ' ' PHE . 5.9 mt -41.95 145.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -139.56 -176.68 4.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.483 HG22 ' CB ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -165.95 139.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 44' ' ' THR . 0.5 OUTLIER -108.47 141.38 23.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' OE1' ' A' ' 54' ' ' GLN . 18.3 Cg_endo -75.02 5.19 4.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.08 -48.57 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.96 44.8 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.153 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.501 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER -144.71 168.52 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.434 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.501 ' N ' ' CG2' ' A' ' 44' ' ' THR . 1.4 t -146.91 164.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.456 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -176.58 -162.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.63 131.34 6.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.444 ' N ' ' HD2' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -91.06 145.01 25.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.12 -19.0 24.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.6 m-20 -150.82 91.85 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.601 ' CD ' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -30.88 94.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.0 t 178.66 66.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -133.51 -176.16 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.545 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -40.24 -49.09 2.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.545 ' N ' HE21 ' A' ' 54' ' ' GLN . 5.4 m-70 -177.15 101.08 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.647 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -102.58 4.14 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.423 ' N ' HD12 ' A' ' 56' ' ' ILE . 3.9 mp0 -52.8 163.25 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 37' ' ' LEU . 21.5 mt -157.15 175.7 13.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -171.53 120.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.516 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -87.13 162.72 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' ALA . 24.9 t -147.62 57.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.501 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -38.56 125.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -119.79 2.31 11.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER 162.86 125.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -41.77 140.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.453 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 77.38 5.9 86.03 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' ' 64' ' ' SER . 1.3 tt0 -169.46 105.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.501 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 29.9 m -121.82 171.17 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 4.9 m-85 -114.68 169.01 9.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.8 mt -146.24 126.18 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -132.8 101.09 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.483 ' CB ' HG22 ' A' ' 39' ' ' ILE . 15.0 t -56.35 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 73' ' ' THR . 4.5 t -58.01 107.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.507 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 23.9 tp10 168.67 -41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 76' ' ' GLY . 1.8 t -149.47 47.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.13 75.48 0.07 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.5 OUTLIER -134.51 134.31 41.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.281 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.519 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 34.1 m-85 -109.74 118.43 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.8 tp -68.09 127.82 34.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -150.08 -176.87 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.4 ' CE ' ' O ' ' A' ' 85' ' ' GLY . 0.3 OUTLIER -137.66 119.53 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.603 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 69.2 m-20 -77.26 174.9 10.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.423 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 7.4 m -63.57 -12.34 32.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.75 -3.27 46.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.471 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 70.21 5.97 55.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -102.25 111.37 23.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -39.67 138.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.603 ' CE2' ' OD1' ' A' ' 82' ' ' ASP . 1.5 p90 -152.12 176.6 11.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.595 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -92.38 149.06 19.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.92 112.16 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -5.77 29.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -115.32 98.83 51.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.02 102.9 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.1 m-80 -161.91 -148.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -67.67 63.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 21.9 tt0 -170.6 -44.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 4.2 t -78.73 -35.46 44.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.557 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -48.56 173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -153.71 104.72 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -51.14 97.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 7.6 tt0 -88.75 143.94 26.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -165.01 86.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.8 OUTLIER -28.35 97.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.0 tm-20 -58.23 -51.27 70.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.483 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.3 tt0 -101.18 -104.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.593 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 1.3 t-20 -149.99 34.51 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 18.4 m170 -168.58 -63.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.582 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.582 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 13.1 m-85 -60.06 160.27 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.614 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 14.1 m-20 -128.16 84.17 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.516 ' CG2' HD21 ' A' ' 145' ' ' LEU . 76.2 p -70.29 104.38 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 10.0 m-85 -84.98 178.41 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -152.7 148.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.465 ' OG ' ' ND1' ' A' ' 116' ' ' HIS . 46.2 t -56.91 86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' ILE . 1.3 tmtm? -52.03 -24.26 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.63 ' CE ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.18 -38.8 92.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.63 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -152.92 65.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.572 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.474 ' HB3' ' CG2' ' A' ' 112' ' ' ILE . . . -73.85 -3.99 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -60.21 -14.6 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 1.4 tttt -112.67 4.8 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.37 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER 61.4 20.73 11.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 35.7 m0 -54.32 92.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 108.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.595 ' CD1' HD11 ' A' ' 144' ' ' ILE . 9.1 m-85 -71.95 -172.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.586 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 7.6 p -119.59 25.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.413 ' CA ' HG23 ' A' ' 144' ' ' ILE . . . -65.17 -158.53 0.38 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -170.27 108.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.563 ' O ' ' N ' ' A' ' 128' ' ' ASN . 32.7 tttt -28.78 128.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.5 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.61 60.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 126' ' ' LYS . 19.7 m120 -147.84 -43.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 133.94 70.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 170.25 142.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.777 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.96 169.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 137' ' ' THR . 5.1 mttt -103.72 153.94 20.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -88.57 145.91 25.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.616 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.11 -62.3 0.73 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.0 Cg_endo -75.01 52.29 3.02 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.24 39.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -126.82 51.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -120.54 135.42 55.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.56 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.635 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 9.3 p90 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.635 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 3.3 pt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.582 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -59.36 93.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.506 ' CE2' HD13 ' A' ' 37' ' ' LEU . 4.0 m-85 -89.81 125.46 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.6 104.48 48.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.35 6.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.89 67.07 73.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 18.2 Cg_endo -75.0 178.63 7.01 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HG3' ' CA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -150.0 102.26 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD23 ' CG ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -55.12 170.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.649 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 4.2 t80 -172.8 148.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.628 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 14.4 m -72.82 160.25 32.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 108' ' ' TYR . 34.3 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.586 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 1.2 m80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.649 ' CD2' ' HB2' ' A' ' 29' ' ' TYR . 38.9 m-85 -119.14 99.12 6.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.699 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 4.5 mt -34.29 142.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.514 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 2.7 ptp180 -141.99 148.06 37.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -126.46 115.81 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD2' ' OD2' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -86.26 141.87 35.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 9.19 2.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -93.41 -27.94 16.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.84 14.99 5.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.452 ' CB ' HD11 ' A' ' 40' ' ' LEU . 1.1 m -120.44 133.01 55.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -111.27 166.43 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.54 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 175.8 -172.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.6 140.76 12.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 3.5 m -115.4 126.5 54.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.489 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -38.81 -39.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.564 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 54.2 m-20 -143.51 120.0 11.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.599 ' HD3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -35.23 119.71 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.4 t 179.49 70.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.514 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 8.1 t0 -144.93 -176.17 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.623 ' NE2' ' H ' ' A' ' 55' ' ' HIS . 2.6 pm0 -56.86 -37.49 71.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.623 ' H ' ' NE2' ' A' ' 54' ' ' GLN . 2.6 m-70 -179.5 109.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.404 ' O ' HG12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -105.55 17.69 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -46.42 146.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -151.82 166.78 30.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -179.77 143.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' CD1' ' OH ' ' A' ' 111' ' ' TYR . 1.2 mt -100.93 161.59 13.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.8 t -146.1 53.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.043 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.98 125.99 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.2 OUTLIER -118.32 -0.25 11.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.97 129.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -40.68 138.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.59 -7.31 58.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 3.1 tt0 -153.05 104.24 2.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.466 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 35.2 m -125.94 162.9 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.477 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 12.2 m-85 -111.32 167.3 10.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.417 ' CD1' ' CD2' ' A' ' 99' ' ' PHE . 89.4 mt -144.41 128.93 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.3 OUTLIER -135.33 134.3 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.522 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 31.3 t -87.63 71.49 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 73' ' ' THR . 14.8 t -40.57 95.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' SER . 26.8 tp10 176.77 -48.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' GLY . 7.4 t -142.33 45.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.372 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.97 52.67 1.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.31 115.55 29.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 60.7 m-85 -95.96 146.96 24.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -89.31 144.86 25.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 97' ' ' CYS . . . -167.2 173.85 8.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.441 ' HG3' ' CD1' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.08 117.45 10.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.594 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 37.1 m-20 -76.59 171.69 14.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.412 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 2.5 m -57.04 -16.52 7.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.6 8.03 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.48 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 53.35 19.19 8.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -98.18 104.11 16.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.508 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 5.0 mp -38.57 134.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.594 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.4 p90 -162.62 165.07 26.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -119.41 164.46 13.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.64 155.32 29.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.746 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.16 3.43 17.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.238 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.8 p -116.11 90.21 27.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.456 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.0 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.456 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 2.1 m-80 -146.58 -172.27 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -37.98 -31.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.251 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 94' ' ' ASN . 25.1 tt0 -68.93 -61.08 1.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.489 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 8.9 t -56.46 -30.8 63.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.477 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 1.4 mt -56.84 172.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.529 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.36 113.32 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -54.86 100.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 109' ' ' ASN . 4.0 tt0 -62.5 166.46 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 104' ' ' GLU . 3.8 mtm180 179.49 91.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.48 83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -39.72 -47.65 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.509 ' HG2' ' CE1' ' A' ' 107' ' ' HIS . 0.8 OUTLIER -130.31 -100.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.588 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 3.0 t-20 -143.3 38.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.588 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -175.45 -65.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.631 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 31' ' ' SER . 6.2 m-85 -59.39 116.75 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.649 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 1.1 m120 -97.1 77.59 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.48 ' CG2' HG13 ' A' ' 144' ' ' ILE . 82.2 p -67.15 96.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.45 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 22.0 m-85 -79.13 -178.5 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.963 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.603 ' CD1' ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -160.95 132.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.563 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 6.1 t -37.45 105.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.495 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 3.0 tmtm? -70.7 -24.14 62.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.512 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -72.43 -8.75 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.563 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.85 67.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.493 ' CB ' HG21 ' A' ' 112' ' ' ILE . . . -77.82 -16.78 58.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.37 -15.95 12.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.2 OUTLIER -100.7 -3.01 31.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.2 OUTLIER 63.35 33.49 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.584 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 40.2 m0 -71.77 88.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.603 ' CE1' ' CD1' ' A' ' 112' ' ' ILE . 23.9 m-85 -69.51 -178.98 1.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.529 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 7.4 p -116.99 13.84 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.419 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -89.56 104.43 3.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.591 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -59.79 116.99 4.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 0.791 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.97 125.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.455 ' HD3' ' C ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.3 59.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -134.58 -46.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.586 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.71 58.21 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 131' ' ' CYS . 2.1 m 169.15 125.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' SER . 6.7 t -43.31 163.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.279 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.474 ' HE2' ' CD ' ' A' ' 126' ' ' LYS . 8.5 mptt -134.22 141.93 47.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -65.48 161.71 19.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -37.53 -59.12 1.32 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.22 3.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.421 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -172.96 32.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 2.5 p -144.46 102.32 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.392 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.564 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -149.85 174.75 12.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.482 ' CD1' HD13 ' A' ' 144' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.579 HG23 ' CD2' ' A' ' 122' ' ' PHE . 4.3 pt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.499 ' HB3' ' CG ' ' A' ' 108' ' ' TYR . 12.1 mt -68.77 114.68 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.699 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 5.4 m-85 -119.6 126.87 52.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.87 98.83 51.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.81 22.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.48 82.15 66.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.501 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.6 Cg_endo -74.93 172.9 15.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.15 104.61 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.9 OUTLIER -75.5 177.5 6.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.853 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 11.4 t80 -171.46 157.25 4.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.577 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 92.0 m -79.95 126.93 31.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.617 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 9.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.616 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 2.2 m80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.853 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 12.3 m-85 -122.7 104.16 9.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.555 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -38.46 147.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.509 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 5.5 ptp180 -144.68 129.97 18.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.483 HD12 ' CD2' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -106.82 110.84 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.95 142.34 34.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 7.58 2.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.46 -30.57 15.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.01 23.75 4.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.472 ' CB ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.8 137.65 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.376 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.446 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 2.1 t -113.15 167.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.446 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.48 -171.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.6 138.83 9.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.447 ' C ' ' HB3' ' A' ' 35' ' ' HIS . 6.5 m -111.0 124.83 52.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.524 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -36.33 -54.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -133.55 106.75 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.647 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -24.02 131.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' A' ' 52' ' ' SER . 3.5 p 179.76 48.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.927 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.509 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.1 t0 -121.57 -172.96 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 55' ' ' HIS . 3.0 pm0 -77.22 -30.34 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.435 ' N ' ' CD ' ' A' ' 54' ' ' GLN . 9.9 m-70 -169.4 103.54 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.608 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -115.41 1.27 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.9 mt-30 -50.56 154.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 56' ' ' ILE . 1.5 mp -144.86 179.95 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.43 ' N ' ' HZ2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -168.32 142.86 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.83 160.42 16.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.9 t -142.74 52.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.507 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.23 127.89 2.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.2 OUTLIER -119.44 -0.88 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 159.72 127.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' SER . 4.3 m -38.75 144.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 74.29 6.24 74.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 3.3 tt0 -169.61 106.07 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.507 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 19.5 m -128.22 166.74 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.58 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 10.3 m-85 -112.64 167.49 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 63.1 mt -146.91 130.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -143.06 93.33 2.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 t -60.42 82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -49.01 106.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.419 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 172.09 -33.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 t -152.56 37.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 37.67 61.24 1.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.13 124.89 45.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.546 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 31.8 m-85 -100.11 121.99 42.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.483 ' CD2' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -62.24 135.07 57.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -153.34 179.2 8.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.439 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -146.35 113.23 6.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 85' ' ' GLY . 69.3 m-20 -71.78 175.63 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.463 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 20.7 m -54.3 -19.91 6.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.2 13.5 15.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 46.3 24.19 1.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -93.22 106.65 18.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LEU . 9.1 mp -39.03 118.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 3.8 p90 -140.95 166.62 24.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.3 155.13 16.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.73 143.56 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.21 5.3 17.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -116.23 92.0 34.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' GLU . 3.0 m-80 -141.71 -174.12 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -38.06 -30.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' ASN . 28.8 tt0 -70.91 -54.18 12.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 94' ' ' ASN . 6.0 t -56.75 -45.76 81.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.58 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 1.6 mt -46.16 170.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.64 100.95 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.998 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.441 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -43.15 96.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' GLY . 6.5 tm-20 -110.83 149.03 31.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.85 -91.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.62 124.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.476 ' C ' ' CD ' ' A' ' 104' ' ' GLU . 0.5 OUTLIER -102.91 -47.27 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -130.43 -139.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 3.0 t-20 -121.28 50.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.5 m170 179.65 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.617 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 5.3 m-85 -76.85 158.67 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.662 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 12.4 m120 -134.02 58.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.492 ' CG2' ' HG ' ' A' ' 145' ' ' LEU . 29.4 p -37.6 150.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.347 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.662 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -134.25 177.03 8.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.178 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.586 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -156.95 125.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.61 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 23.0 t -36.0 107.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.483 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 4.1 tmtm? -68.36 -25.33 65.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.507 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -68.55 -8.99 46.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.61 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -178.8 68.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.602 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -83.92 6.35 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.66 -16.65 61.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.603 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -105.22 -2.97 23.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.53 20.16 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.607 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 44.7 m0 -54.08 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 9.8 m-85 -79.06 175.48 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.599 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 9.9 p -106.48 26.04 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.493 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -100.54 103.32 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.584 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -59.72 113.79 2.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 128' ' ' ASN . 17.0 tttt -24.6 116.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 63.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.638 ' N ' ' O ' ' A' ' 126' ' ' LYS . 8.7 t-20 -134.5 -44.68 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.616 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 122.47 64.92 0.22 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.454 ' OG ' ' NZ ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 169.14 124.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.761 . . . . 0.0 110.063 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 5.7 t -49.94 145.62 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.486 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -122.59 169.49 10.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.95 -178.65 3.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -45.08 -63.15 2.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 54.26 3.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.486 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.2 OUTLIER 179.21 36.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.429 HG21 ' O ' ' A' ' 134' ' ' GLY . 1.7 t -158.83 100.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 139' ' ' TYR . 6.3 m80 -146.72 -171.66 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.611 ' CD1' ' CD1' ' A' ' 144' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.611 ' CD1' ' CD1' ' A' ' 139' ' ' TYR . 13.0 pt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 108' ' ' TYR . 6.2 mp -74.94 112.19 10.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.555 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 4.7 m-85 -111.18 123.99 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.459 ' O ' ' CD2' ' A' ' 149' ' ' LEU . 1.0 OUTLIER -109.84 100.92 45.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.85 20.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -130.47 68.89 81.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.482 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.04 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 12.0 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HZ2' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 2.3 pp -163.66 152.29 13.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.59 146.63 26.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 30.1 t80 -135.5 147.3 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.543 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -90.06 151.4 21.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.441 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 77.3 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 3.8 m80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 77.1 m-85 -125.9 101.53 6.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 4.8 mt -37.01 154.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.498 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 7.4 ptp180 -153.19 146.61 24.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.479 HD12 ' CD2' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -123.05 119.3 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 HD11 ' CG2' ' A' ' 44' ' ' THR . 0.9 OUTLIER -87.05 141.72 33.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.02 7.79 2.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -90.48 -30.15 17.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.22 13.95 5.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.457 ' CG2' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -114.31 163.37 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.428 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.444 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 1.7 t -130.49 165.42 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.525 ' C ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER 176.37 178.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.467 ' CA ' HD23 ' A' ' 125' ' ' LEU . . . -126.1 156.59 19.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 21.7 m -131.83 123.96 28.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -46.32 -24.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 48' ' ' THR . 1.6 m-20 -152.8 126.77 9.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.575 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -47.54 122.26 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.414 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.3 t 179.77 70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.3 t0 -150.49 168.7 23.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.26 -52.94 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.518 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 15.1 m-70 -159.31 99.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.5 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -103.69 26.91 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.437 ' NE2' ' OE1' ' A' ' 74' ' ' GLU . 1.3 mp0 -85.41 132.17 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.701 ' N ' ' HZ2' ' A' ' 26' ' ' LYS . 5.1 mp -137.04 116.44 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -104.65 160.87 14.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.428 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -111.08 158.44 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 11.7 t -143.03 51.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.82 123.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -114.3 -0.53 13.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 170.82 178.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.975 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -82.26 150.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 58.72 20.88 49.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' HB2' ' CD2' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -176.58 122.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.307 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.469 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 16.7 m -139.76 173.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.579 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 19.5 m-85 -118.3 165.74 13.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 95.5 mt -143.77 129.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HG2' ' CG ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -137.77 114.16 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 74' ' ' GLU . 11.1 t -65.96 88.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 73' ' ' THR . 15.0 t -50.83 90.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.518 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 171.01 -60.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.4 p -79.88 -117.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.67 57.79 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.461 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -159.93 171.98 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 0.805 . . . . 0.0 110.24 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 71' ' ' LYS . 6.0 m-85 -127.93 144.88 51.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' CD2' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.13 146.74 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.489 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -163.15 166.05 23.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -140.49 95.48 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.466 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 62.5 m-20 -49.86 174.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.539 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 24.1 m -63.82 -11.48 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.1 -6.26 59.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.57 ' HA3' ' CE3' ' A' ' 121' ' ' TRP . . . 68.51 22.15 74.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.2 tt -101.29 105.92 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 81' ' ' MET . 10.8 mp -41.61 123.96 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 3.1 p90 -150.29 158.28 43.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -90.86 146.37 18.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.19 126.57 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.88 4.24 17.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.461 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 10.1 p -114.38 94.41 35.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.453 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -74.95 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.534 1.807 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.461 ' ND2' ' C ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -154.57 -156.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 66.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' ASN . 48.5 tt0 -176.06 -51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 78' ' ' TYR . 4.8 t -67.77 -39.16 84.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 108.262 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.579 ' HG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -47.34 172.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.47 118.1 5.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.531 ' CD1' ' CB ' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -61.5 101.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 1.2 tm-20 -112.73 150.86 30.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.41 -90.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 104' ' ' GLU . 0.2 OUTLIER 178.6 120.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 105' ' ' GLU . 4.0 tm-20 -97.53 -41.46 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.7 tt0 -130.07 -104.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.572 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.1 t-20 -158.94 50.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 14.2 m-70 179.84 -62.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.476 ' CE1' ' HB2' ' A' ' 147' ' ' LEU . 29.7 m-85 -54.1 -167.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.42 ' ND2' ' OE2' ' A' ' 101' ' ' GLU . 25.6 m120 -158.65 54.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.498 ' CG2' HG13 ' A' ' 144' ' ' ILE . 65.8 p -47.2 100.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.561 ' CD2' ' HG3' ' A' ' 101' ' ' GLU . 8.9 m-85 -80.81 -173.0 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.585 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 5.0 mt -159.38 114.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 112' ' ' ILE . 2.6 p -34.18 98.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' ILE . 13.7 tttm -56.13 -17.41 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -11.83 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.685 ' ND1' ' CZ3' ' A' ' 121' ' ' TRP . 0.9 OUTLIER -145.11 37.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.531 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -71.46 -19.53 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.49 -27.54 67.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -103.83 1.02 31.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 59.5 33.88 22.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.685 ' CZ3' ' ND1' ' A' ' 116' ' ' HIS . 28.7 m0 -67.42 73.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 107.965 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.585 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 14.0 m-85 -50.27 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.584 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 11.3 p -126.67 96.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.94 126.78 1.62 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.579 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -75.12 120.76 21.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.44 123.47 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.1 60.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 126' ' ' LYS . 10.0 m120 -156.61 -43.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.554 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 138.94 70.83 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.38 139.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 51.6 t -86.93 156.23 19.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -109.72 158.01 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.37 117.51 12.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.559 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 93.91 -142.43 16.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.411 ' HA ' ' NE1' ' A' ' 121' ' ' TRP . 18.2 Cg_endo -75.0 69.69 5.49 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.474 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 1.2 mpt_? -158.34 25.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 122' ' ' PHE . 2.6 t -141.75 77.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 139' ' ' TYR . 17.6 m80 -125.18 -179.28 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.498 HG13 ' CG2' ' A' ' 110' ' ' THR . 4.3 pt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.78 101.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 8.0 m-85 -111.69 119.59 39.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.476 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 0.6 OUTLIER -106.42 102.32 40.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.2 Cg_endo -75.0 132.25 15.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.428 ' O ' ' CD1' ' A' ' 149' ' ' LEU . 2.9 pp -125.24 74.07 67.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.502 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.98 169.13 23.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' A' ' 149' ' ' LEU . 0.9 OUTLIER -148.42 122.14 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 1.1 mt -70.17 154.44 41.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.59 1.181 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB2' ' CD2' ' A' ' 149' ' ' LEU . 20.7 t80 -142.83 124.73 15.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 142.75 51.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.585 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 28.2 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 5.1 m80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 87.6 m-85 -127.7 105.37 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.29 141.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.522 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 2.5 ptp180 -139.96 147.26 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.02 149.76 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -109.32 145.65 32.29 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 2.69 6.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.57 -48.13 7.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.38 46.86 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.4 m -142.65 168.64 19.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 44' ' ' THR . 1.6 t -146.4 166.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 178.66 -170.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.469 ' HA3' ' CD2' ' A' ' 125' ' ' LEU . . . -129.89 160.24 22.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.505 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 24.9 m -140.64 122.66 15.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -51.51 -20.72 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -151.43 127.56 10.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 2.3 ptt180 -55.7 111.6 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 t 179.96 69.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.522 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.7 t0 -137.7 -173.14 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.709 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 3.3 mp0 -52.74 -45.16 66.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CE1' ' OE1' ' A' ' 74' ' ' GLU . 1.8 m-70 -175.82 96.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.626 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -99.19 11.18 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -57.35 134.89 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.97 175.87 8.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -178.75 131.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.516 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -90.94 160.82 15.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ALA . 9.1 t -145.16 55.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.22 125.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -117.25 -0.77 11.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 160.33 131.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.2 137.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 80.68 -7.5 58.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.509 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 3.9 tt0 -150.69 104.33 3.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 m -124.36 165.32 21.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 9.1 m-85 -116.82 167.62 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 98.2 mt -143.91 126.72 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.608 ' HZ3' ' N ' ' A' ' 72' ' ' SER . 0.7 OUTLIER -130.25 123.49 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.608 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 17.4 t -70.96 64.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 73' ' ' THR . 7.6 t -34.56 101.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.575 ' OE1' ' CE1' ' A' ' 55' ' ' HIS . 6.2 tp10 174.22 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -48.43 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.73 60.08 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -119.19 122.18 41.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 60.8 m-85 -100.09 112.29 24.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -46.82 157.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.535 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -178.44 170.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.421 ' CE ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -137.76 124.15 20.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -79.19 176.25 9.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.521 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 21.0 m -58.17 -16.13 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.98 11.04 21.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.406 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 50.35 30.15 17.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 tt -104.88 112.05 25.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.462 HD22 ' CG2' ' A' ' 123' ' ' VAL . 9.5 mp -42.14 128.52 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 2.3 p90 -152.06 149.91 29.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.23 144.38 16.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.81 160.28 41.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.045 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.86 38.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 68.0 p -145.96 92.9 5.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 89.07 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -128.16 -175.85 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.19 -34.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.4 ' OE2' ' OH ' ' A' ' 88' ' ' TYR . 18.1 tt0 -65.8 -61.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.0 m -49.43 -34.72 17.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.529 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -55.89 171.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.495 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.92 101.18 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -49.59 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.08 145.16 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.422 ' NH2' ' CZ ' ' A' ' 122' ' ' PHE . 71.5 mtm180 -135.73 -100.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.53 122.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.478 ' HG2' ' CD1' ' A' ' 145' ' ' LEU . 3.7 tp10 -100.54 -46.68 5.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.448 ' CG ' ' HG3' ' A' ' 104' ' ' GLU . 1.9 mt-10 -121.43 -117.04 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.567 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 19.0 t30 -153.43 52.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 15.2 m170 -170.78 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 6.5 m-85 -70.61 -158.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.617 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 10.8 m120 -164.21 57.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 p -39.56 153.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -135.42 179.65 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.579 ' CD1' ' CE1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -154.91 133.14 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.531 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 6.5 t -40.2 100.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.509 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 3.5 tmtm? -64.81 -24.61 67.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.559 ' HE3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -67.64 -26.91 66.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.559 ' CD2' ' HE3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -160.3 66.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.647 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.487 ' CB ' HG22 ' A' ' 112' ' ' ILE . . . -75.98 -1.23 24.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.59 -4.16 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -119.49 2.4 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 112' ' ' ILE . 0.7 OUTLIER 57.13 37.0 28.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 38.5 m0 -69.93 77.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.579 ' CE1' ' CD1' ' A' ' 112' ' ' ILE . 11.5 m-85 -61.19 179.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.495 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 8.3 p -120.03 100.17 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 144' ' ' ILE . . . -161.0 138.52 5.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.591 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -95.56 115.02 26.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 125' ' ' LEU . 6.2 tttt -24.6 125.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -64.76 60.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -155.58 -41.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.27 74.14 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 t 169.5 132.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 110.025 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.24 168.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -112.64 174.86 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.158 . . . . 0.0 109.249 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 134' ' ' GLY . 1.7 mmm180 -118.99 153.88 33.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -35.23 -64.03 0.51 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.98 51.67 2.84 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 168.63 41.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.511 ' HG1' ' N ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -136.51 67.04 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.368 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -125.96 152.51 45.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.626 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.737 ' CD2' ' O ' ' A' ' 139' ' ' TYR . 40.4 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 139' ' ' TYR . 32.0 pt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 108' ' ' TYR . 1.4 mp -58.53 92.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.483 ' CE2' ' O ' ' A' ' 123' ' ' VAL . 14.1 m-85 -107.42 119.07 38.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 108' ' ' TYR . 4.5 tt -111.35 124.01 33.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.453 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.4 Cg_endo -74.95 131.46 14.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -130.24 64.33 72.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.494 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 165.04 32.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.454 1.766 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 6.3 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HE3' ' CA ' ' A' ' 27' ' ' LEU . 1.1 tptt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.476 ' CA ' ' HE3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -175.23 139.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 1.8 tt -96.47 160.38 14.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.564 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 51.2 t80 -153.89 151.94 30.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.463 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 2.9 m -103.77 149.87 24.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 108' ' ' TYR . 1.4 p . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 7.4 m80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.608 ' CD1' ' HA ' ' A' ' 50' ' ' ASP . 17.6 m-85 -127.36 91.34 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.504 ' HG ' ' CD1' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -33.52 146.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 10.7 ptp180 -138.76 153.05 48.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.6 OUTLIER -130.34 114.47 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -90.72 138.89 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.665 ' CD ' ' CD2' ' A' ' 55' ' ' HIS . 18.4 Cg_endo -74.96 9.35 2.04 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -29.57 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.52 15.59 5.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.473 ' CB ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -118.38 130.91 56.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.378 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.447 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 1.8 t -112.98 165.77 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 170.08 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.92 169.24 17.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 50' ' ' ASP . 20.9 m -145.58 124.52 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.528 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -39.6 -32.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.608 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 2.4 m-20 -160.11 118.88 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -31.03 93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -122.2 33.67 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.582 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -135.41 174.83 10.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.531 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -91.47 -30.29 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.665 ' CD2' ' CD ' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -118.97 82.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.609 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.582 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -130.39 18.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -79.04 162.98 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -148.14 177.16 9.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.447 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 7.5 tp-100 -170.5 147.78 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.504 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -119.56 158.69 25.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.0 t -143.89 53.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.484 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.84 126.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -118.44 0.22 11.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 159.67 126.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -39.63 142.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.67 4.49 81.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.502 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 4.3 tt0 -168.35 106.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.484 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 29.7 m -126.76 164.17 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.45 ' CB ' ' HB3' ' A' ' 61' ' ' SER . 12.7 m-85 -109.81 168.82 9.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.469 HG23 ' CD2' ' A' ' 79' ' ' LEU . 17.8 mt -147.34 126.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -112.18 133.9 54.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.431 ' N ' ' HE3' ' A' ' 71' ' ' LYS . 5.9 t -71.96 70.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -45.09 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 73' ' ' THR . 0.7 OUTLIER 159.68 -38.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 76' ' ' GLY . 25.3 p -119.28 -124.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -145.43 16.17 1.86 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.493 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -101.55 -161.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 49.0 m-85 -151.17 174.56 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 70' ' ' ILE . 7.3 tp -92.52 161.78 14.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -177.21 -175.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 2.3 ttt -147.94 94.44 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.527 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 40.0 m-20 -52.64 168.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.43 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 2.8 m -58.95 -16.6 18.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -81.08 3.07 24.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.508 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 59.91 16.55 39.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -97.74 109.07 21.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 0.811 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.462 ' CD2' HG21 ' A' ' 123' ' ' VAL . 4.2 mp -38.85 119.35 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -144.03 165.24 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.04 156.5 15.9 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.07 156.65 40.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -90.37 29.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.445 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.3 p -134.13 88.67 30.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.427 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -74.98 99.67 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -156.32 -152.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -66.36 69.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 94' ' ' ASN . 27.8 tt0 -177.94 -43.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.1 t -76.71 -26.73 55.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.467 ' CD2' ' HG2' ' A' ' 67' ' ' GLU . 0.5 OUTLIER -59.55 172.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.4 105.07 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.461 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -46.31 98.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 8.6 tt0 -79.42 161.61 26.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.74 78.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.511 ' C ' ' O ' ' A' ' 102' ' ' ARG . 19.3 tp -31.43 95.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 102' ' ' ARG . 1.7 tm-20 -51.8 -40.44 60.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.8 tt0 -130.11 -107.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.569 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 4.4 t30 -139.98 40.51 1.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 5.4 m170 -178.29 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.62 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 15.2 m-85 -54.17 129.24 34.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.623 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 2.5 m120 -105.32 85.02 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.502 ' CG2' HG13 ' A' ' 144' ' ' ILE . 69.5 p -75.18 94.85 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.623 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 17.1 m-85 -78.62 -172.84 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.574 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -165.7 123.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.49 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 59.5 p -34.57 99.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.502 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 4.7 tmtm? -64.37 -22.62 67.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -71.3 -6.72 41.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 113' ' ' SER . 0.2 OUTLIER 179.85 67.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.479 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -85.23 -2.35 57.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -68.18 -17.66 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 6.5 mttt -101.85 -1.77 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.08 20.59 7.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 35.2 m0 -60.21 107.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.574 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 16.1 m-85 -89.02 -176.27 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 6.3 p -117.83 12.65 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.532 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -82.72 107.23 2.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.595 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -62.12 119.46 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.628 ' O ' ' N ' ' A' ' 128' ' ' ASN . 30.6 tttt -24.47 118.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.26 61.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.628 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -143.1 -45.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 125.76 68.07 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 129' ' ' GLY . 2.2 m 168.73 128.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 110.041 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.7 t -41.52 158.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 108.33 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.453 ' HE3' ' CD ' ' A' ' 136' ' ' ARG . 32.5 tptt -129.11 160.29 33.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.425 ' NE ' ' HG2' ' A' ' 135' ' ' PRO . 10.2 ptm180 -95.5 156.11 16.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -39.56 -55.59 2.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.425 ' HG2' ' NE ' ' A' ' 133' ' ' ARG . 18.3 Cg_endo -75.04 63.17 6.01 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.453 ' CD ' ' HE3' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 169.65 39.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 137' ' ' THR . 4.4 p -145.25 92.65 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.6 OUTLIER -139.8 172.25 13.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.478 ' CD1' HD13 ' A' ' 144' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.545 HD11 ' CE1' ' A' ' 122' ' ' PHE . 3.9 pt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.483 HD22 ' CG ' ' A' ' 104' ' ' GLU . 68.2 mt -68.8 105.0 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.532 ' CZ ' ' HA2' ' A' ' 124' ' ' GLY . 14.0 m-85 -116.17 124.46 50.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.487 ' O ' ' CD2' ' A' ' 149' ' ' LEU . 1.1 tm? -106.61 102.29 40.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.36 14.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 147' ' ' LEU . 0.2 OUTLIER -129.74 68.9 81.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.469 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 164.99 32.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.504 ' CE ' ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -158.55 123.88 4.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.52 HD23 ' CG ' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -93.85 163.74 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.616 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 12.8 t80 -154.91 153.1 30.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.616 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 34.2 m -88.46 153.0 21.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.646 ' CD2' ' N ' ' A' ' 49' ' ' ARG . 2.6 m80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.605 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 35.6 m-85 -115.23 98.06 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.593 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -38.74 152.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.458 ' HD3' ' CA ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -141.06 149.05 41.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 1.1 tp -123.56 112.88 35.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' CB ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -91.03 141.25 26.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.568 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.03 7.5 2.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -92.66 -30.53 15.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.2 28.31 2.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.462 ' CB ' HD13 ' A' ' 40' ' ' LEU . 4.4 m -124.55 158.33 33.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 110.427 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.434 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 2.2 t -129.19 169.65 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 174.02 -170.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' HD3' ' A' ' 38' ' ' ARG . . . -141.28 155.69 25.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.457 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 6.3 m -135.75 125.45 25.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.646 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -34.64 -46.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' SER . 58.2 m-20 -142.44 122.15 13.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.605 ' CD ' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -33.79 96.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' ASP . 3.8 t -143.25 50.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.976 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.523 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -123.8 -170.97 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.574 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -82.14 -39.27 23.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -155.27 99.38 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.523 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -114.3 20.52 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.2 mp0 -71.39 129.07 37.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.504 ' O ' ' CE ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -130.54 132.31 45.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.489 ' HB2' ' CG2' ' A' ' 73' ' ' THR . 8.4 tp-100 -120.13 154.47 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.556 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -118.8 165.31 14.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 6.7 t -145.26 51.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.26 125.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.0 OUTLIER -114.0 -3.93 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.07 140.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.52 138.15 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 78.29 1.49 81.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 98' ' ' LEU . 2.1 tt0 -157.49 104.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.468 ' O ' ' CD2' ' A' ' 98' ' ' LEU . 7.4 m -126.94 162.51 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.536 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 11.5 m-85 -119.27 163.43 17.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.482 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 13.1 mt -145.58 124.74 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -129.14 128.94 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' GLU . 1.9 t -62.05 93.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -52.8 89.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 73' ' ' THR . 2.1 tp10 160.62 -60.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 74' ' ' GLU . 7.7 p -99.52 -135.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -142.96 61.95 0.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.18 132.03 45.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 93' ' ' PRO . 65.8 m-85 -106.73 112.43 25.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 4.8 tp -42.36 160.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -177.89 178.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.453 ' CB ' ' HB3' ' A' ' 113' ' ' SER . 0.0 OUTLIER -140.34 103.78 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.43 ' OD2' ' CG ' ' A' ' 88' ' ' TYR . 36.8 m-20 -61.09 171.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.416 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 6.1 m -64.67 -14.53 58.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -5.92 44.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.479 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 73.22 17.48 78.81 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 87' ' ' LEU . 1.9 tt -110.89 127.6 55.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 123' ' ' VAL . 7.2 mp -55.41 136.95 49.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -160.16 150.8 18.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -101.74 154.18 18.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.72 153.78 41.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -78.78 2.64 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.0 p -115.72 94.28 40.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.511 ' HB3' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.98 88.48 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' CYS . 2.2 m-80 -127.55 -175.15 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.45 -39.36 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.473 ' CG ' ' HG3' ' A' ' 115' ' ' LYS . 47.3 tt0 -61.69 -50.81 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' ASN . 16.8 m -64.9 -24.25 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.536 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 3.3 mt -67.26 173.06 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -150.66 124.93 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.461 HD11 ' CB ' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -66.77 104.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.575 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 0.9 OUTLIER -110.61 146.8 35.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.6 -94.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 178.38 117.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.479 ' CB ' HG22 ' A' ' 110' ' ' THR . 3.4 tm-20 -96.71 -35.52 10.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 1.3 mm-40 -130.34 -100.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.609 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 6.2 m120 -170.23 40.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 20.5 m170 -166.48 -61.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.621 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.588 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 11.1 m-85 -65.02 -164.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.629 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 8.8 m120 -158.16 82.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.552 ' CG2' HG13 ' A' ' 144' ' ' ILE . 70.1 p -72.14 99.08 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 6.2 m-85 -81.09 -175.54 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.3 mt -156.27 131.79 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 81' ' ' MET . 1.6 p -49.87 91.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.471 ' CE ' ' HG3' ' A' ' 67' ' ' GLU . 9.8 tttm -50.39 -42.12 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.473 ' HG3' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -45.55 -26.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 81' ' ' MET . 0.2 OUTLIER -166.25 75.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.586 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.461 ' CB ' HD11 ' A' ' 100' ' ' LEU . . . -91.39 -0.08 57.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -64.72 -20.48 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.3 OUTLIER -105.06 3.9 30.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER 64.75 19.03 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.0 m0 -53.97 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.606 ' CD2' HD11 ' A' ' 144' ' ' ILE . 10.6 m-85 -69.63 -170.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 4.0 p -124.24 44.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.403 ' HA3' HG21 ' A' ' 144' ' ' ILE . . . -95.39 -173.2 36.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -151.88 121.67 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.3 tttt -36.89 125.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.512 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.09 59.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 126' ' ' LYS . 14.2 m120 -144.76 -43.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.558 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 137.82 61.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.0 m -179.46 140.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 110.022 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.69 168.58 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 136' ' ' ARG . 1.5 mttt -102.68 131.35 49.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -79.95 153.92 28.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.619 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -37.02 -62.7 0.82 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.04 53.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.56 40.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.76 55.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -122.87 141.72 51.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.65 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 8.0 p90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.65 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.588 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -57.69 100.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.593 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 4.4 m-85 -89.04 121.23 31.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.481 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -102.36 105.52 43.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.01 130.37 13.2 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.447 ' N ' ' HD3' ' A' ' 150' ' ' PRO . 0.6 OUTLIER -134.31 62.98 58.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.495 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.02 164.96 32.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.797 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 14.4 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 3.0 tptt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.495 ' CA ' ' HE3' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -167.68 123.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.82 148.43 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.586 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 6.5 t80 -136.84 141.62 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.586 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 4.2 m -75.83 144.51 41.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.566 ' OG ' ' CZ ' ' A' ' 108' ' ' TYR . 1.9 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.05 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 24.2 m80 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 83.9 m-85 -134.2 95.99 3.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.683 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 0.8 OUTLIER -34.24 148.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.518 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 4.5 ptp180 -146.48 145.27 30.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.525 ' CD1' ' CD2' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -125.86 119.84 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 ' CB ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -86.61 142.59 34.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HA ' ' NE2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.98 8.47 2.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.85 -27.53 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.87 11.88 6.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.446 ' CB ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -118.82 132.15 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 110.388 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.5 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.2 164.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.504 ' C ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER 178.83 -176.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.496 ' N ' ' CD2' ' A' ' 125' ' ' LEU . . . -120.24 179.96 16.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.508 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 57.5 m -156.84 123.76 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -45.43 -25.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -150.93 127.86 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -55.48 113.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -179.85 68.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.518 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 6.4 t0 -137.3 -172.48 3.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.715 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 3.4 mp0 -54.84 -44.69 74.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.557 ' CG ' ' CD ' ' A' ' 74' ' ' GLU . 1.8 m-70 -173.87 98.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.633 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.34 11.33 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.415 ' OE1' ' ND1' ' A' ' 55' ' ' HIS . 3.6 mp0 -55.0 130.55 42.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.56 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.1 mt -127.45 179.23 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.427 ' NE2' ' HG2' ' A' ' 26' ' ' LYS . 3.1 tp-100 -179.59 148.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.07 158.76 22.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.3 t -142.83 54.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.488 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -37.74 131.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -128.39 1.23 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.515 ' O ' ' O ' ' A' ' 67' ' ' GLU . 1.3 m 157.62 120.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -36.16 150.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.482 ' HA2' ' O ' ' A' ' 101' ' ' GLU . . . 66.87 10.52 55.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.515 ' O ' ' O ' ' A' ' 64' ' ' SER . 3.9 tt0 -175.35 104.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.288 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.54 ' CG2' ' HB2' ' A' ' 101' ' ' GLU . 35.3 m -127.74 170.81 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.664 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 10.7 m-85 -109.33 171.18 7.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.492 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 18.1 mt -154.3 127.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.656 ' HZ3' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -129.76 113.91 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.656 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 1.4 t -65.45 81.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -35.18 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.557 ' CD ' ' CG ' ' A' ' 55' ' ' HIS . 2.4 mm-40 175.74 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -113.76 59.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.41 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 34.08 35.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.7 OUTLIER -87.37 105.27 17.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.27 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.476 ' O ' ' CA ' ' A' ' 89' ' ' GLY . 59.4 m-85 -84.81 148.54 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -85.22 142.08 29.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . -163.29 178.28 8.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.438 ' HE1' ' CA ' ' A' ' 85' ' ' GLY . 1.5 ttt -145.74 107.93 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.564 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 61.9 m-20 -65.21 173.65 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.443 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 16.3 m -60.08 -16.43 31.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.88 7.03 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.481 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 55.95 17.49 16.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.11 106.39 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.488 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 2.6 mp -39.01 135.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.564 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -165.83 165.14 18.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.33 160.66 14.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.06 163.59 33.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -88.44 38.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.46 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.4 p -136.75 89.39 17.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.465 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.5 Cg_endo -74.91 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.6 OUTLIER -158.59 -164.05 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.49 -40.4 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 88' ' ' TYR . 10.0 tt0 -59.65 -68.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.2 t -54.06 -41.9 68.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 108.267 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.664 ' CD2' ' CZ ' ' A' ' 69' ' ' TYR . 2.6 mm? -48.13 166.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.584 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -150.17 99.6 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -39.86 99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -95.17 161.77 13.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.629 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -179.53 91.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -20.21 102.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.5 ' OE1' ' CG ' ' A' ' 105' ' ' GLU . 3.0 tm-20 -66.93 -39.77 87.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.5 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 0.6 OUTLIER -130.12 -97.17 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 2.9 t-20 -164.94 49.31 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 7.1 m170 -176.02 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.556 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 145' ' ' LEU . 3.4 m-85 -68.88 -160.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.535 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 24.5 m120 -167.29 40.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.466 ' OG1' ' HB2' ' A' ' 104' ' ' GLU . 31.8 p -42.78 153.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.663 ' N ' ' CD1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -135.18 -178.57 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.709 ' CD1' ' CE1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -150.97 125.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.561 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 8.1 t -30.97 101.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.478 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 2.0 tmtm? -68.52 -28.98 67.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.93 -11.38 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.561 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -177.05 63.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 112' ' ' ILE . . . -78.14 -7.31 56.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.68 -14.66 14.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.3 OUTLIER -111.1 5.53 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 122' ' ' PHE . 29.3 m120 55.95 34.96 24.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.61 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.1 m0 -66.22 77.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.709 ' CE1' ' CD1' ' A' ' 112' ' ' ILE . 2.3 m-85 -56.31 165.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.584 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 4.2 p -107.9 82.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -153.38 127.39 2.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.613 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -77.3 125.67 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 0.726 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.613 ' C ' ' O ' ' A' ' 125' ' ' LEU . 27.9 tttt -22.13 124.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.525 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.12 59.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 126' ' ' LYS . 3.1 t-20 -151.37 -46.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.48 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 139.83 63.62 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 168.92 128.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.42 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.6 tptt -150.75 148.48 28.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 134' ' ' GLY . 44.2 ttt180 -69.12 158.09 35.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.78 -57.18 1.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.99 59.17 5.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 173.12 39.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 8.0 t -154.78 98.93 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -140.24 -147.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.521 HD13 ' CE2' ' A' ' 122' ' ' PHE . 19.8 pt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.701 ' CD1' ' CD2' ' A' ' 108' ' ' TYR . 5.5 tp -68.77 78.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.683 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 9.5 m-85 -94.66 129.45 41.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 107' ' ' HIS . 0.8 OUTLIER -120.39 128.74 25.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.562 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.2 Cg_endo -75.0 128.08 11.2 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.589 ' N ' ' HD3' ' A' ' 150' ' ' PRO . 0.4 OUTLIER -130.15 55.07 16.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.589 ' HD3' ' N ' ' A' ' 149' ' ' LEU . 18.3 Cg_endo -75.03 -168.39 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.796 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.453 HD22 ' CZ ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -162.11 144.24 11.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.07 152.78 19.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.44 ' HD1' ' CZ ' ' A' ' 36' ' ' PHE . 38.6 t80 -135.0 150.26 50.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.2 145.94 36.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.279 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.496 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 80.4 m80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 71.4 m-85 -132.34 96.43 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' HG ' ' CD1' ' A' ' 125' ' ' LEU . 0.4 OUTLIER -37.37 154.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.467 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -144.9 162.21 37.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.54 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.9 OUTLIER -130.85 108.97 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -86.0 141.72 35.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.1 Cg_endo -75.03 9.91 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.571 1.827 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.39 -30.24 14.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.71 19.74 5.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.473 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.1 m -121.11 131.76 54.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.539 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.61 166.48 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.539 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 175.06 -170.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -130.49 153.32 20.14 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -128.82 126.88 40.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.374 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' THR . 1.9 tmt_? -37.94 -47.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -139.89 112.49 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.57 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -31.5 115.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 52' ' ' SER . 11.3 p -172.57 64.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.062 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.456 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 3.7 t0 -134.8 -174.88 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.501 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -66.22 -18.56 65.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.581 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 2.5 m-70 174.15 111.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.553 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.453 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.72 14.76 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.04 148.56 35.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 1.3 mp -147.38 175.84 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -173.95 142.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.96 160.26 16.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 6.5 t -143.36 51.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.68 124.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.49 -0.42 13.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 165.6 175.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 m -72.42 152.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 49.66 24.64 5.98 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.477 ' HG2' ' CD2' ' A' ' 98' ' ' LEU . 4.1 tt0 -169.12 107.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 101' ' ' GLU . 5.2 m -133.34 161.8 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 98' ' ' LEU . 17.2 m-85 -111.81 164.05 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 78' ' ' TYR . 27.3 mt -146.23 131.15 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HZ3' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -137.93 104.57 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.532 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 2.3 t -61.94 79.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 73' ' ' THR . 15.0 t -49.76 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.581 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.2 mm-40 164.03 -46.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -105.57 -27.15 11.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.87 35.01 13.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -112.06 119.29 37.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 110.266 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CD1' ' HB3' ' A' ' 93' ' ' PRO . 49.3 m-85 -80.29 103.88 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.425 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 6.5 tp -38.73 145.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -166.52 -177.46 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.471 ' CB ' ' HB2' ' A' ' 113' ' ' SER . 0.0 OUTLIER -143.62 92.74 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.506 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 11.5 m-20 -44.14 166.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.467 ' CG2' ' CE ' ' A' ' 115' ' ' LYS . 1.1 p -61.16 -14.07 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.76 8.85 18.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.553 ' CA ' ' CE3' ' A' ' 121' ' ' TRP . . . 57.72 28.14 59.81 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' LEU . 2.1 tt -109.94 108.62 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.439 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 5.1 mp -39.75 134.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -166.92 153.15 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.08 132.6 9.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 1.7 t -122.05 164.04 18.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -79.35 3.23 18.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 92' ' ' THR . 12.0 p -115.73 88.61 20.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HB3' ' CD1' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.02 104.63 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.447 ' N ' ' SG ' ' A' ' 97' ' ' CYS . 3.3 m-80 -140.91 -174.51 4.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 94' ' ' ASN . 0.8 OUTLIER -35.89 -40.58 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.444 ' CG ' ' HD3' ' A' ' 115' ' ' LYS . 45.1 tt0 -61.5 -54.13 47.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.5 ' SG ' ' CE2' ' A' ' 69' ' ' TYR . 3.5 p -58.81 -38.85 79.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 108.318 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -50.47 174.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.3 120.98 6.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.504 ' CD1' ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -61.46 98.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.583 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 6.5 tt0 -104.41 143.51 32.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -144.53 -96.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.255 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 102' ' ' ARG . 1.9 tp 178.9 117.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.467 ' CD ' ' CD2' ' A' ' 145' ' ' LEU . 3.9 tm-20 -91.6 -43.95 9.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -130.05 -92.25 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.557 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 2.0 t-20 -179.12 58.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.557 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 14.1 m-70 179.97 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.548 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.24 -154.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.457 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 7.6 m120 -168.23 66.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.496 ' CG2' HG13 ' A' ' 144' ' ' ILE . 76.8 p -55.6 99.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.583 ' CD2' ' HG3' ' A' ' 101' ' ' GLU . 5.4 m-85 -81.3 -172.73 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.592 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -163.46 119.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 81' ' ' MET . 6.8 t -35.03 101.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.458 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 17.3 tttm -57.46 -17.22 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.467 ' CE ' ' CG2' ' A' ' 83' ' ' THR . 0.0 OUTLIER -92.31 -3.33 55.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.735 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 1.3 m-70 -152.48 39.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.659 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.504 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -77.35 -1.2 28.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.49 -29.22 30.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 1.8 tttt -101.92 -0.04 34.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 65.45 28.61 11.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.735 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 34.3 m0 -64.55 78.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.595 ' CE2' HD11 ' A' ' 144' ' ' ILE . 13.6 m-85 -54.21 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 5.1 p -122.9 17.8 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -88.91 107.58 3.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.611 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -61.31 118.8 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 128' ' ' ASN . 0.7 OUTLIER -22.77 116.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -62.7 61.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.638 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -141.12 -43.81 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.496 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.74 58.48 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.68 114.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.969 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -41.7 156.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.1 mptt -121.21 167.77 12.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 135' ' ' PRO . 21.8 ptt180 -96.0 165.49 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.612 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -35.1 -56.58 0.86 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.487 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.0 55.73 4.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 176.94 37.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.52 92.02 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 139' ' ' TYR . 6.3 m80 -148.82 172.22 15.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.507 ' CD1' HD13 ' A' ' 144' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.595 HD11 ' CE2' ' A' ' 122' ' ' PHE . 3.5 pt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.467 ' CD2' ' CD ' ' A' ' 104' ' ' GLU . 40.5 mt -65.11 90.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.488 ' CZ ' ' HA2' ' A' ' 124' ' ' GLY . 13.2 m-85 -105.09 116.96 32.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.499 ' CD2' ' HD2' ' A' ' 148' ' ' PRO . 0.0 OUTLIER -103.35 109.67 62.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.499 ' HD2' ' CD2' ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.03 129.86 12.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.546 1.814 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.432 ' N ' ' HD3' ' A' ' 150' ' ' PRO . 1.5 pp -133.27 63.74 66.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.499 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 -168.9 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.492 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -155.89 107.61 2.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 2.7 tt -65.85 157.48 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.727 ' CE2' ' O ' ' A' ' 30' ' ' CYS . 7.3 t80 -157.74 156.17 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.727 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 59.5 m -80.11 166.52 21.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.566 ' HB2' ' CD1' ' A' ' 108' ' ' TYR . 3.1 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 49' ' ' ARG . 2.8 m80 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.632 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 57.1 m-85 -123.38 98.98 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.663 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 1.1 mt -29.9 141.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.484 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 1.6 ptp180 -145.52 157.22 44.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.567 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -142.09 152.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' CD2' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -108.95 145.26 31.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 2.64 6.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.74 -53.47 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.04 45.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.479 HG23 ' CD2' ' A' ' 40' ' ' LEU . 1.7 m -142.48 169.41 17.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.429 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' ' CD1' ' A' ' 39' ' ' ILE . 1.4 t -144.67 164.58 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.448 ' HA ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER 174.29 -171.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.13 165.34 24.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.097 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.484 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 2.7 m -140.02 127.4 21.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.573 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -44.32 -33.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -144.48 115.36 7.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -35.98 122.25 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.3 t 179.65 70.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -145.59 -178.23 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.579 ' NE2' ' H ' ' A' ' 55' ' ' HIS . 3.3 pm0 -57.98 -40.09 79.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 6.8 m-70 -172.99 105.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.571 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -111.2 31.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -79.83 123.45 27.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 37' ' ' LEU . 4.9 mp -130.62 116.37 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -109.49 136.71 48.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -96.39 162.36 13.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 7.1 t -143.02 50.2 1.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.462 ' CB ' HG13 ' A' ' 68' ' ' VAL . . . -40.38 128.74 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -119.41 -2.26 10.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.9 135.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.39 138.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.31 -3.56 66.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.481 ' HG3' ' CE ' ' A' ' 114' ' ' LYS . 3.6 tt0 -155.85 102.61 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.537 HG22 ' CE1' ' A' ' 111' ' ' TYR . 34.8 m -127.2 164.66 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.559 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 19.1 m-85 -117.54 169.34 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.482 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 13.3 mt -146.41 133.66 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HZ3' ' N ' ' A' ' 77' ' ' GLN . 0.1 OUTLIER -139.86 94.32 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 77' ' ' GLN . 42.7 t -57.23 84.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 73' ' ' THR . 7.3 t -68.94 102.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 1.4 mm-40 164.44 -38.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.425 ' CG2' ' OE1' ' A' ' 77' ' ' GLN . 3.2 t -129.05 3.59 5.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.438 ' HA2' ' NZ ' ' A' ' 71' ' ' LYS . . . 65.62 76.27 0.34 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.568 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -148.77 144.4 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 19.6 m-85 -112.29 102.76 10.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 39' ' ' ILE . 4.3 tp -42.8 139.09 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.564 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -161.35 -175.54 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -154.27 113.33 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -76.71 177.23 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.416 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 33.0 p -59.45 -14.96 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.492 ' OD2' ' CZ ' ' A' ' 133' ' ' ARG . 2.8 t0 -85.5 8.65 18.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.13 27.08 5.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -105.05 107.1 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 0.814 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.428 ' CD2' HG21 ' A' ' 123' ' ' VAL . 2.8 mp -41.09 128.61 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.3 p90 -154.39 172.81 17.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -99.43 157.3 19.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.0 t -146.7 116.86 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -69.11 -5.82 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.446 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 7.4 p -114.76 99.61 52.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.457 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.03 101.7 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -157.26 -150.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.11 69.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' ASN . 27.2 tt0 -178.27 -54.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -68.1 -32.12 72.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.35 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.559 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -54.98 -179.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.2 OUTLIER -160.79 122.84 3.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -62.63 104.78 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.494 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -84.32 160.06 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 110.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.548 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -173.05 79.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -28.57 96.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.7 tm-20 -61.4 -43.86 98.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -130.23 -105.04 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.599 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 5.7 t30 -143.32 36.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 7.3 m170 -176.09 -66.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 31' ' ' SER . 29.7 m-85 -53.41 133.68 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.64 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 13.2 m120 -109.0 78.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.475 ' CG2' ' HG ' ' A' ' 145' ' ' LEU . 70.4 p -68.42 93.68 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.64 ' CD2' ' O ' ' A' ' 109' ' ' ASN . 8.0 m-85 -81.27 -176.5 6.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.585 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -163.41 130.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.514 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 8.6 t -35.89 100.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.481 ' CE ' ' HG3' ' A' ' 67' ' ' GLU . 2.2 tmtm? -66.98 -26.66 66.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.427 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -65.31 -15.73 62.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.514 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -175.02 70.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.61 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.417 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -79.68 -8.04 58.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.09 -22.52 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 4.2 mttt -100.03 1.01 42.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 122' ' ' PHE . 30.5 m120 60.24 28.19 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 26.9 m0 -63.4 80.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 107.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.585 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 4.8 m-85 -62.1 177.32 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 5.9 p -113.75 20.95 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.484 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -92.35 105.03 3.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.615 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.8 OUTLIER -59.33 116.09 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.649 ' O ' ' N ' ' A' ' 128' ' ' ASN . 2.0 tttt -22.29 115.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.534 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -62.46 61.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.649 ' N ' ' O ' ' A' ' 126' ' ' LYS . 8.6 t-20 -135.24 -42.37 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.556 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 130.07 52.77 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 131' ' ' CYS . 1.5 m 169.63 135.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' SER . 2.9 t -47.52 171.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.432 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 6.6 tptt -150.25 148.79 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.492 ' CZ ' ' OD2' ' A' ' 84' ' ' ASP . 0.1 OUTLIER -70.76 153.46 42.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.551 ' C ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.42 -56.78 1.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -74.99 54.84 3.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.768 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 175.68 38.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.14 93.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.0 OUTLIER -131.0 -164.46 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.652 ' CD1' ' CD1' ' A' ' 144' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.652 ' CD1' ' CD1' ' A' ' 139' ' ' TYR . 19.1 pt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 7.4 mp -77.91 104.49 8.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.663 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 14.2 m-85 -112.44 125.57 54.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 107' ' ' HIS . 1.0 OUTLIER -110.22 98.73 36.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.414 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.3 Cg_endo -75.04 133.55 16.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.449 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 2.8 pp -123.83 73.64 54.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 148' ' ' PRO . 18.3 Cg_endo -75.03 174.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.811 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' N ' ' CE ' ' A' ' 26' ' ' LYS . 3.6 pp -168.47 123.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.7 OUTLIER -69.94 169.38 13.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.723 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 57.2 t80 -159.5 147.52 17.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.428 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -92.03 147.03 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 78.0 m80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 25.6 m-85 -109.84 89.76 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.499 ' HG ' ' CD1' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -36.82 152.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.513 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.99 -178.21 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -155.68 120.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.619 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -105.34 142.11 24.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.673 ' HD3' ' CD2' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.06 5.17 4.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.35 -34.47 23.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.51 33.68 1.28 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.35 120.51 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 110.451 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -108.16 166.76 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.545 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 174.27 -170.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.476 ' N ' ' CD2' ' A' ' 125' ' ' LEU . . . -133.42 122.27 3.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.491 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 1.1 m -89.92 136.97 32.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.36 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.16 -43.1 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.531 ' O ' ' C ' ' A' ' 51' ' ' ARG . 56.6 m-20 -146.93 112.95 5.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.605 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -25.67 92.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' ASP . 6.3 p -127.61 31.05 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.576 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -126.16 -178.08 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.591 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -92.16 -36.91 13.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.673 ' CD2' ' HD3' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -120.29 86.93 2.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.576 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -128.9 17.82 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 22.4 mp0 -84.83 162.35 19.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -147.53 165.14 31.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -161.65 132.34 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -93.63 160.03 14.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' ALA . 10.2 t -147.01 49.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.45 ' CB ' HG13 ' A' ' 68' ' ' VAL . . . -38.86 124.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -117.68 1.89 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 177.55 173.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.416 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -81.41 148.72 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.61 13.33 37.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 98' ' ' LEU . 1.4 pm0 -166.94 118.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG1' ' OE1' ' A' ' 101' ' ' GLU . 27.6 m -134.97 164.51 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 18.8 m-85 -111.71 167.26 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.9 mt -142.8 126.05 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.609 ' CG ' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -129.53 92.86 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 t -54.11 95.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 73' ' ' THR . 13.5 t -54.52 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.82 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.0 p -80.27 -120.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.86 30.47 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.509 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -135.8 -169.08 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 71' ' ' LYS . 6.1 m-85 -138.85 131.49 28.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' SG ' ' A' ' 97' ' ' CYS . 5.3 tp -41.22 146.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.592 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -165.25 177.42 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.446 ' SD ' ' CD1' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -147.83 88.78 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.536 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 16.1 m-20 -46.02 168.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.467 ' CG2' ' HE2' ' A' ' 115' ' ' LYS . 32.5 p -63.16 -11.83 23.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.395 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -78.28 -9.16 59.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.48 23.43 78.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 3.1 tt -112.06 111.7 22.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.458 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.8 mp -39.38 134.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.592 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -161.38 163.16 30.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.52 152.67 17.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 t -147.6 127.87 13.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 0.0 110.034 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.98 -1.1 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.474 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 8.6 p -114.85 96.92 46.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.449 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.478 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -75.04 106.42 2.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.478 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.7 OUTLIER -149.88 -158.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.57 68.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' ASN . 24.3 tt0 -178.19 -59.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 5.2 t -61.44 -33.15 73.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.21 173.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.51 113.17 5.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -56.71 98.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.455 ' OE1' ' CG1' ' A' ' 68' ' ' VAL . 11.7 tt0 -61.54 167.24 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 104' ' ' GLU . 4.3 mtm180 179.58 93.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -58.61 83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.0 tm-20 -46.35 -45.98 17.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 1.6 tt0 -129.8 -102.7 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 16.4 t30 -141.7 36.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 6.9 m170 -176.28 -59.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -63.69 103.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.567 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 37.4 m-20 -85.8 64.72 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.516 ' CG2' HG13 ' A' ' 144' ' ' ILE . 40.7 p -51.24 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.404 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 43.6 m-85 -79.55 -167.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.576 HD12 ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -169.52 119.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 112' ' ' ILE . 79.4 p -33.91 100.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -17.44 14.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.467 ' HE2' ' CG2' ' A' ' 83' ' ' THR . 0.0 OUTLIER -89.18 -12.05 42.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.76 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 2.4 m-70 -143.1 39.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 100' ' ' LEU . . . -70.53 -17.78 62.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -78.3 -20.04 52.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.528 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -102.38 -4.8 24.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.36 15.07 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.76 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 35.4 m0 -56.47 95.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 108.05 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.576 ' CE1' HD12 ' A' ' 112' ' ' ILE . 16.7 m-85 -74.35 -172.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.565 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 4.3 p -121.52 13.48 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.492 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -84.92 105.88 2.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.595 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -60.07 121.0 10.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.5 tttt -24.58 119.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -64.33 60.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.605 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -140.65 -44.44 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.585 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.08 62.38 0.12 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 129' ' ' GLY . 2.2 m 169.08 123.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.6 t -41.37 156.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.432 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 21.1 tptt -126.09 160.47 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.418 ' NE ' ' HG2' ' A' ' 135' ' ' PRO . 10.6 ptm180 -85.92 158.97 19.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -40.81 -57.04 2.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.418 ' HG2' ' NE ' ' A' ' 133' ' ' ARG . 18.3 Cg_endo -75.0 65.1 6.07 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.432 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 170.99 39.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 7.4 p -146.98 96.98 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -141.84 175.83 9.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.612 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.446 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.535 HG23 ' CD2' ' A' ' 122' ' ' PHE . 4.4 pt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.476 HD21 ' CG2' ' A' ' 110' ' ' THR . 45.1 mt -66.55 108.36 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.492 ' CZ ' ' HA2' ' A' ' 124' ' ' GLY . 12.6 m-85 -120.81 121.83 39.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 107' ' ' HIS . 1.4 tm? -111.83 102.64 54.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.417 ' N ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.99 142.31 27.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.29 68.85 80.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.505 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.97 171.43 18.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.49 ' N ' ' CE ' ' A' ' 26' ' ' LYS . 2.2 pp -174.73 113.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.86 165.84 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -158.01 129.46 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -73.07 152.07 41.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 108.33 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.011 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' NE2' ' C ' ' A' ' 128' ' ' ASN . 37.9 m80 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 53.2 m-85 -130.27 97.37 4.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -39.71 159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.456 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -143.87 159.19 42.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.523 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -132.19 110.78 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -88.15 139.71 30.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.97 11.38 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -95.79 -30.45 13.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.89 21.08 4.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 111.05 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.433 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.1 m -123.56 132.39 53.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -109.32 167.24 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.549 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 176.84 -168.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.79 154.2 21.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.456 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.2 m -132.69 131.6 41.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.71 -45.72 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.2 m-20 -139.74 112.4 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.575 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -29.82 121.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 52' ' ' SER . 1.3 t 179.81 69.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 10.2 t0 -141.68 -174.28 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -58.29 -34.76 70.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -177.8 108.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -110.37 15.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -64.94 111.26 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.544 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 5.3 mt -111.16 133.95 53.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 73' ' ' THR . 0.0 OUTLIER -131.55 135.61 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -103.71 163.19 12.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 61' ' ' SER . 2.7 t -139.3 54.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -40.8 125.91 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -114.82 -3.78 12.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.21 137.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -41.61 137.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 3.54 70.79 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' HG2' ' CD1' ' A' ' 98' ' ' LEU . 2.5 tt0 -157.15 104.97 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.418 ' O ' ' CD2' ' A' ' 98' ' ' LEU . 23.8 m -132.75 162.27 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.587 ' CD1' HD22 ' A' ' 98' ' ' LEU . 25.8 m-85 -117.41 170.31 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.4 mt -146.47 129.15 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -134.88 116.33 14.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.587 ' O ' ' N ' ' A' ' 74' ' ' GLU . 1.2 t -50.07 100.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -55.75 77.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.587 ' N ' ' O ' ' A' ' 72' ' ' SER . 18.8 tp10 173.21 -73.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 76' ' ' GLY . 10.1 p -89.84 -132.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -140.77 42.37 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.81 115.88 30.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.791 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 41.6 m-85 -91.99 107.51 19.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 tp -42.81 150.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . -171.66 -178.05 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.25 116.2 9.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 33.7 m-20 -72.05 171.97 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.423 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 1.6 p -58.88 -15.67 13.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.82 5.02 26.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.496 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 58.31 23.48 53.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -106.15 105.93 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.496 ' CD1' ' SD ' ' A' ' 81' ' ' MET . 1.4 mp -38.95 138.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 82' ' ' ASP . 3.1 p90 -165.75 154.36 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.08 151.44 19.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.46 158.86 44.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -90.35 31.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.4 p -135.07 89.47 23.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.446 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.97 102.91 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.446 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.4 m-80 -157.65 -163.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -39.76 -41.11 1.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 9.1 tt0 -57.95 -74.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -44.37 -39.94 5.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 108.305 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.587 HD22 ' CD1' ' A' ' 69' ' ' TYR . 5.5 mt -48.9 167.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.558 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.13 102.97 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.48 101.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -67.14 176.73 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 101' ' ' GLU . 6.7 mtm180 -179.69 94.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.84 87.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.495 ' OE1' ' CD2' ' A' ' 145' ' ' LEU . 0.6 OUTLIER -64.52 -56.89 11.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 0.7 OUTLIER -99.52 -121.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.567 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 36.4 p-10 -132.02 39.39 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 13.4 m-70 -179.99 -61.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.545 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CE2' HD11 ' A' ' 145' ' ' LEU . 15.6 m-85 -43.05 153.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.613 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 20.7 m120 -125.68 63.3 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.48 ' CG2' HG13 ' A' ' 144' ' ' ILE . 67.1 p -54.56 97.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.613 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 24.6 m-85 -79.56 -177.6 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.573 HD13 ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -159.04 131.62 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.591 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 22.8 t -42.03 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.477 ' CD ' ' HG3' ' A' ' 67' ' ' GLU . 15.2 tttp -63.73 -24.02 67.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.519 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -66.83 -10.81 51.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.591 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.95 61.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.564 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.469 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -72.33 -14.69 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.13 -17.83 21.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.555 ' CD ' ' CZ2' ' A' ' 121' ' ' TRP . 0.2 OUTLIER -99.78 -2.26 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 137' ' ' THR . 30.7 m120 62.12 37.73 14.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 39.3 m0 -78.92 95.73 5.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.596 ' CD2' HD11 ' A' ' 144' ' ' ILE . 14.0 m-85 -76.23 -179.77 5.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.558 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 7.6 p -113.62 36.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.435 ' CA ' HG23 ' A' ' 144' ' ' ILE . . . -93.39 119.95 6.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 126' ' ' LYS . 2.2 mt -95.15 125.63 39.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 128' ' ' ASN . 74.7 tttt -36.84 131.49 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.527 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -69.34 58.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 126' ' ' LYS . 3.7 m120 -143.28 -45.55 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.52 71.39 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 169.98 120.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 132' ' ' LYS . 24.5 t -49.47 156.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 131' ' ' CYS . 0.3 OUTLIER -98.77 168.4 10.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.415 ' CD ' ' HG2' ' A' ' 135' ' ' PRO . 2.5 ptp180 -99.14 151.35 21.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -38.44 -54.38 2.18 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.494 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -75.0 51.24 2.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.445 1.761 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.5 39.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.426 ' H ' ' CE1' ' A' ' 138' ' ' HIS . 0.2 OUTLIER -126.61 60.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER -131.97 133.82 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.564 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.638 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 10.2 p90 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.638 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 1.1 pt . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 108' ' ' TYR . 3.0 mt -54.24 100.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 4.6 m-85 -108.04 120.74 43.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.37 99.11 39.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 142.23 27.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.568 1.825 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.457 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 1.4 pp -132.99 65.1 73.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.498 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.01 165.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HZ3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -152.27 100.67 2.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -66.59 167.92 10.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.441 ' HD1' ' CE2' ' A' ' 36' ' ' PHE . 84.8 t80 -160.36 124.28 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -79.45 143.24 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 108.293 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 3.7 m80 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.685 ' CZ ' ' CZ ' ' A' ' 51' ' ' ARG . 72.7 m-85 -120.45 97.2 5.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.571 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -40.22 144.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.503 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 9.1 ptp180 -139.29 141.17 37.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -120.28 120.8 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.493 HD13 ' CG2' ' A' ' 44' ' ' THR . 0.3 OUTLIER -93.79 138.01 22.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.571 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.01 10.38 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.58 -28.26 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.68 21.73 3.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.493 ' CG2' HD13 ' A' ' 40' ' ' LEU . 4.5 m -124.75 142.46 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 1.6 t -124.79 165.51 21.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.511 ' C ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER 173.07 -171.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.477 ' CA ' HD23 ' A' ' 125' ' ' LEU . . . -127.79 166.43 20.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 56.9 m -142.61 123.76 14.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.479 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -45.13 -25.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.573 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -155.41 128.73 8.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.685 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -49.11 91.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' ASP . 5.2 p -136.38 46.18 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.945 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.527 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -119.86 -171.3 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.573 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -85.04 -39.6 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.573 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -155.8 99.81 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.527 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -113.73 18.14 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.501 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 9.7 mp0 -66.73 166.63 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.515 ' N ' ' HZ3' ' A' ' 26' ' ' LYS . 53.7 mt -155.92 -176.14 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 1.8 tt0 -173.13 132.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.31 161.88 13.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.4 t -146.62 53.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.504 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.15 127.34 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.8 pp20? -121.16 1.1 10.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 160.79 123.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -37.31 148.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.479 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 69.76 9.43 62.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.51 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 4.0 tt0 -172.73 106.09 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.504 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 28.3 m -127.44 166.05 25.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.541 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 10.5 m-85 -110.26 165.05 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.487 HG23 ' CD2' ' A' ' 79' ' ' LEU . 57.0 mt -144.25 127.0 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -126.09 125.78 43.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.6 t -67.46 71.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 73' ' ' THR . 14.6 t -53.1 89.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.388 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' SER . 0.6 OUTLIER 171.41 -44.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 41' ' ' PRO . 69.0 p -103.01 -102.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.43 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -177.38 33.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.446 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -125.63 -168.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 36.8 m-85 -137.3 165.92 25.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.487 ' CD2' HG23 ' A' ' 70' ' ' ILE . 15.0 tp -101.13 134.96 43.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.557 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -153.96 -165.31 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.513 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -153.81 88.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.566 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 61.4 m-20 -48.88 175.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.438 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 9.7 m -62.44 -13.25 27.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -90.15 21.8 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.0 29.8 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' ASP . 3.3 tt -107.41 106.36 16.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 6.3 mp -39.55 114.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -142.47 168.87 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.34 154.86 16.33 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.32 158.83 44.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.32 38.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.2 p -143.49 93.45 6.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.436 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.03 105.43 2.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.436 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 3.2 m-80 -155.31 -167.77 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -38.58 -44.93 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' CG ' ' HG3' ' A' ' 115' ' ' LYS . 18.5 tt0 -56.26 -73.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.431 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 14.2 t -42.89 -43.34 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.541 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -51.28 172.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -152.22 99.01 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -39.64 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.552 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 27.2 tt0 -77.66 160.37 28.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.518 ' NH2' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER 178.55 76.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 102' ' ' ARG . 8.5 tp -35.12 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.477 ' OE1' ' CD1' ' A' ' 145' ' ' LEU . 1.4 tm-20 -45.09 -60.09 2.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -115.12 -100.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 47.5 p-10 -146.42 50.63 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.9 m170 179.97 -52.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.582 ' CD2' ' CD2' ' A' ' 145' ' ' LEU . 4.5 m-85 -77.82 131.8 37.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.595 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 14.2 m120 -102.36 50.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 104' ' ' GLU . 46.4 p -47.35 97.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 3.1 m-85 -86.28 -171.36 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.525 ' CG2' ' CB ' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -154.54 121.81 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.458 ' HB3' ' CE ' ' A' ' 81' ' ' MET . 59.5 p -39.74 95.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.51 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 4.6 tttm -55.02 -18.42 5.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.435 ' HG3' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -72.27 -19.04 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.513 ' CE1' ' O ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -163.93 65.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.604 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.525 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -86.5 -22.95 26.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.94 -15.22 20.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -102.56 -1.11 31.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.473 ' HA ' HD12 ' A' ' 112' ' ' ILE . 29.1 m120 64.02 46.05 3.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 45.3 m0 -91.73 102.37 14.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 107.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.612 ' CD2' HD13 ' A' ' 144' ' ' ILE . 12.2 m-85 -77.37 -176.44 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 4.0 p -124.07 91.86 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -160.02 134.74 3.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.57 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -80.71 124.97 29.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.75 122.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.03 60.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.6 m-20 -160.68 -41.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 136.55 88.99 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 169.8 158.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 6.2 t -101.89 144.66 30.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.469 ' CD ' ' HB ' ' A' ' 137' ' ' THR . 0.0 OUTLIER -69.57 179.44 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -165.63 58.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 117.28 -137.43 13.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.476 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 18.4 Cg_endo -75.06 60.55 5.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.446 ' CB ' ' HG3' ' A' ' 132' ' ' LYS . 0.8 OUTLIER -130.86 3.69 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.602 ' C ' ' CG ' ' A' ' 138' ' ' HIS . 4.9 t -123.26 119.21 29.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.602 ' CG ' ' C ' ' A' ' 137' ' ' THR . 0.1 OUTLIER -163.99 -179.04 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.504 ' CD1' ' CZ ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.612 HD13 ' CD2' ' A' ' 122' ' ' PHE . 3.6 pt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.582 ' CD2' ' CD2' ' A' ' 108' ' ' TYR . 5.0 mp -65.83 106.0 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.571 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 6.0 m-85 -117.91 119.43 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.421 ' CD2' ' HD2' ' A' ' 148' ' ' PRO . 0.2 OUTLIER -108.85 105.96 57.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.421 ' HD2' ' CD2' ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.02 127.33 10.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.411 ' N ' ' HD3' ' A' ' 150' ' ' PRO . 1.2 pp -134.53 64.45 64.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.505 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 18.2 Cg_endo -75.02 172.58 16.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 2.1 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 27' ' ' LEU . 6.9 tttt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.54 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -136.68 102.96 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -68.12 167.57 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.769 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 24.6 t80 -162.65 152.15 15.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.603 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 46.8 m -82.66 157.54 23.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.481 ' HB2' ' HB3' ' A' ' 145' ' ' LEU . 28.9 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.594 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.769 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 50.1 m-85 -134.72 101.62 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.574 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -41.55 163.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.46 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -154.55 158.77 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -127.88 108.57 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' CB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -88.02 141.35 31.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.98 7.95 2.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.91 -33.38 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.79 32.73 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.462 ' CB ' HD13 ' A' ' 40' ' ' LEU . 3.5 m -127.09 161.18 29.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.424 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -131.3 163.4 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.47 ' C ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER 177.97 -173.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.41 ' HA3' ' CD1' ' A' ' 125' ' ' LEU . . . -135.32 138.37 9.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.46 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.8 m -107.33 122.02 45.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -46.0 22.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 51' ' ' ARG . 4.7 m-20 -128.01 90.34 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.627 ' CG ' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -25.96 116.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 52' ' ' SER . 1.2 t 179.56 69.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . 6.3 t0 -136.76 -175.22 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.471 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -55.72 -44.85 77.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.509 ' CD2' ' OE1' ' A' ' 74' ' ' GLU . 25.2 m-70 -166.55 102.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.517 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 0.6 OUTLIER -110.7 -0.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 57' ' ' GLN . 7.1 mp0 -56.64 144.39 32.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 56' ' ' ILE . 1.7 mp -141.02 178.67 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' NE2' ' HD3' ' A' ' 26' ' ' LYS . 5.8 tp-100 -168.22 149.66 5.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.544 HD23 ' CE2' ' A' ' 111' ' ' TYR . 1.2 mt -105.53 166.66 10.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 69' ' ' TYR . 5.1 t -147.06 53.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.07 125.85 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.3 OUTLIER -116.07 -2.17 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.57 130.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -40.1 139.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.62 3.84 83.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 3.6 tt0 -164.56 106.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.438 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 33.2 m -127.43 168.38 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 11.1 m-85 -119.18 169.59 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 97.0 mt -145.59 128.99 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -136.0 106.86 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' GLU . 7.6 t -66.61 79.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.22 90.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.509 ' OE1' ' CD2' ' A' ' 55' ' ' HIS . 3.6 mm-40 -170.72 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.476 ' CG2' ' OE1' ' A' ' 77' ' ' GLN . 2.1 t -157.79 58.24 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 32.26 91.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.476 ' OE1' ' CG2' ' A' ' 75' ' ' THR . 0.0 OUTLIER -152.53 121.75 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 55.4 m-85 -106.51 106.64 17.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 8.4 tp -46.63 157.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.566 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -170.76 -169.76 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.458 ' CB ' ' HB2' ' A' ' 113' ' ' SER . 0.0 OUTLIER -155.74 88.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.457 ' O ' ' NE2' ' A' ' 116' ' ' HIS . 12.1 m-20 -46.57 165.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.569 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 2.5 m -56.65 -16.72 6.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 134' ' ' GLY . 3.1 m-20 -80.81 3.58 22.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.72 29.98 58.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 133' ' ' ARG . 5.4 tt -109.37 108.85 19.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' LEU . 2.5 mp -39.79 120.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -151.79 160.53 43.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.98 142.9 17.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -146.66 155.46 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.017 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.03 38.86 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.438 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.5 p -134.62 89.34 26.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -74.97 101.65 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.8 OUTLIER -157.68 -154.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.38 59.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' ASN . 6.1 tt0 -167.14 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.25 -23.27 60.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -71.39 175.54 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -153.71 121.71 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD1' ' HG3' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -62.56 99.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.566 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 3.4 tt0 -80.14 138.08 36.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -155.04 82.12 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.6 tp -29.93 99.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.526 ' CB ' ' OG1' ' A' ' 110' ' ' THR . 0.1 OUTLIER -58.84 -53.81 54.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -110.96 -106.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.625 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 4.3 t30 -147.83 39.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 21.6 m170 -165.09 -76.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.607 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.563 ' CD1' HD21 ' A' ' 147' ' ' LEU . 26.1 m-85 -45.34 171.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.616 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 71.1 m-20 -128.47 50.72 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.526 ' OG1' ' CB ' ' A' ' 104' ' ' GLU . 14.8 p -48.27 109.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.117 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.616 ' CE2' ' HB3' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -99.52 -170.55 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.595 HD12 ' CE1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -157.95 111.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.607 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 0.9 OUTLIER -32.46 98.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.496 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 10.6 tttm -58.45 -18.13 26.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HD3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -68.66 -9.81 52.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.607 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -177.16 69.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.616 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.505 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -93.99 14.79 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.32 -21.36 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -108.65 5.24 24.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER 66.13 23.91 10.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.576 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 35.3 m0 -60.62 83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.967 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.678 ' CZ ' ' CD1' ' A' ' 139' ' ' TYR . 8.9 m-85 -60.05 -172.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 3.3 p -126.65 101.21 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.53 136.22 3.43 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.157 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.585 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -78.27 118.91 20.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 128' ' ' ASN . 16.0 tttt -24.39 118.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -62.43 60.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.652 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.4 m-20 -142.66 -45.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.594 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 139.99 57.27 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.59 150.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 13.0 t -92.86 161.57 14.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -123.4 177.89 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.471 ' HB3' ' CG ' ' A' ' 86' ' ' LEU . 11.6 ptt180 -143.59 128.06 17.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 87.79 -137.06 14.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.428 ' HA ' ' NE1' ' A' ' 121' ' ' TRP . 18.4 Cg_endo -74.98 72.64 4.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.47 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 1.4 mpt_? -155.27 23.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 122' ' ' PHE . 6.1 t -145.24 94.09 2.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 139' ' ' TYR . 21.8 m80 -136.66 -174.03 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.596 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.678 ' CD1' ' CZ ' ' A' ' 122' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.497 ' CG2' ' HB3' ' A' ' 122' ' ' PHE . 10.8 pt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 8.0 mp -76.7 112.16 12.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 11.5 m-85 -116.58 119.76 36.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -103.27 107.1 54.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.16 13.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.8 pp -131.72 66.56 78.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.491 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 167.86 26.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.4 ' CD1' ' O ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -167.71 115.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD23 ' HB3' ' A' ' 146' ' ' PHE . 0.8 OUTLIER -67.48 -173.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.785 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 7.6 t80 179.39 152.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.636 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 67.7 m -77.14 157.49 30.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.04 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.648 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 1.3 m80 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.785 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 24.3 m-85 -116.52 104.72 11.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.56 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -34.95 149.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.462 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -149.08 132.03 16.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -110.49 112.27 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.12 142.62 36.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.98 8.68 2.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.79 -28.96 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.4 18.06 5.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.472 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.1 m -122.11 134.18 54.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 110.405 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.63 166.72 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.545 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -177.96 -163.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.62 128.3 2.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.473 ' C ' ' HB3' ' A' ' 35' ' ' HIS . 1.1 m -98.76 124.19 43.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 110.366 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.452 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 17.6 ptt-85 -38.23 -53.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 51' ' ' ARG . 23.6 m-20 -131.3 107.15 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.607 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -24.28 111.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' A' ' 52' ' ' SER . 1.5 t -161.88 60.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.539 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -135.35 -169.09 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.587 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -84.04 -38.47 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.587 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -155.33 100.98 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.539 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -121.38 5.18 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 72.0 mt-30 -60.43 169.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 14.8 mt -153.27 176.88 11.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.03 117.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.452 ' CD1' ' OH ' ' A' ' 111' ' ' TYR . 7.6 mt -80.16 154.24 28.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -144.89 47.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.973 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.495 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -38.2 124.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.59 -9.59 17.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.39 -163.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.425 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -90.68 154.45 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 50.18 27.47 11.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 65' ' ' VAL . 1.5 pt-20 -178.27 127.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.495 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 14.6 m -141.06 166.25 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.602 ' CE2' ' SG ' ' A' ' 97' ' ' CYS . 23.9 m-85 -119.97 105.76 11.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.3 mt -90.26 136.1 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.4 136.68 41.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.461 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 29.6 t -89.67 78.66 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 73' ' ' THR . 15.3 t -64.1 84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 179.32 -44.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.439 ' CG2' ' CG2' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -114.6 -29.24 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.426 ' HA2' ' NZ ' ' A' ' 71' ' ' LYS . . . 97.68 80.48 1.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.21 151.94 19.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 74.2 m-85 -120.46 111.83 18.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tp -44.6 131.57 6.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 97' ' ' CYS . . . -156.26 168.48 27.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.437 ' CE ' ' O ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -142.18 116.65 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.589 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 56.3 m-20 -74.83 174.11 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.433 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 1.7 p -57.35 -16.67 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.35 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.53 9.15 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.496 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 51.23 20.7 5.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -96.56 103.61 15.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.478 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 4.7 mp -38.64 132.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.589 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -162.1 159.2 25.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.053 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -120.26 155.52 16.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.64 159.33 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.491 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 7.7 tt0 -79.56 3.97 17.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.6 p -114.87 89.89 20.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.444 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -75.03 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 3.0 m-80 -147.18 -173.87 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.78 -27.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 94' ' ' ASN . 50.9 tt0 -73.9 -45.9 47.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.602 ' SG ' ' CE2' ' A' ' 69' ' ' TYR . 2.4 p -67.81 -32.94 73.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.579 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -51.65 169.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.46 97.56 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -42.97 105.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -118.22 146.92 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -139.21 -90.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 178.41 119.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.524 ' OE1' ' CG ' ' A' ' 105' ' ' GLU . 7.3 tm-20 -92.31 -41.25 10.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.524 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -130.37 -98.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.616 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 15.7 t-20 -161.94 36.12 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 21.4 m170 -165.16 -69.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CD2' HD21 ' A' ' 145' ' ' LEU . 24.4 m-85 -51.35 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.607 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 27.7 m120 -151.36 76.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.505 ' CG2' HG13 ' A' ' 144' ' ' ILE . 72.8 p -68.06 98.4 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 13.5 m-85 -79.21 -175.8 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.581 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -166.53 128.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.532 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 8.9 t -34.79 109.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.047 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.457 ' HG2' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -75.01 -28.35 60.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.47 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -67.28 -9.73 43.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.532 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -179.96 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.576 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.468 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -83.08 -3.76 57.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.03 -17.96 55.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -102.29 -0.9 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 68.87 15.63 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 39.1 m0 -49.26 110.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 24.1 m-85 -93.3 178.73 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 7.5 p -113.9 12.24 8.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -84.54 101.54 2.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.596 ' O ' ' C ' ' A' ' 126' ' ' LYS . 1.2 mp -58.82 120.14 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.626 ' O ' ' N ' ' A' ' 128' ' ' ASN . 6.0 tttt -24.51 116.87 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.56 60.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.626 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.1 t-20 -140.77 -43.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.648 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 135.63 56.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 129' ' ' GLY . 2.1 m 168.48 144.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 13.7 t -69.9 162.14 28.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.34 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.491 ' CD ' ' HB3' ' A' ' 136' ' ' ARG . 1.2 mttp -129.52 145.36 51.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.73 170.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.608 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -44.43 -60.91 3.45 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CD ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -74.98 52.62 3.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 135' ' ' PRO . 1.0 OUTLIER -164.93 28.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 6.8 p -142.15 98.17 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.444 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -141.99 175.2 9.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.464 ' CD1' HD13 ' A' ' 144' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.567 HD11 ' CE2' ' A' ' 122' ' ' PHE . 3.0 pt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.573 HD21 ' CD2' ' A' ' 108' ' ' TYR . 6.8 mt -67.81 113.34 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 3.2 m-85 -117.77 116.9 27.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 149' ' ' LEU . 1.3 tm? -106.13 104.27 48.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.12 29.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.456 ' N ' ' HD3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -135.13 62.46 51.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.502 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.02 177.16 8.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.533 ' CE ' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.533 ' N ' ' CE ' ' A' ' 26' ' ' LYS . 1.3 pp -153.83 123.62 6.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.436 ' HG ' ' NZ ' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -69.66 153.4 43.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.414 ' HD1' ' CZ ' ' A' ' 36' ' ' PHE . 41.4 t80 -139.68 118.23 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 137.64 58.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 108.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.448 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 29.4 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.5 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 19.9 m80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CE1' ' HA ' ' A' ' 50' ' ' ASP . 19.8 m-85 -120.11 104.1 9.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.578 HD13 ' CZ ' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -46.63 164.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.453 ' NH2' ' CG ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -145.64 -177.75 5.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.465 HG22 ' CB ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -156.25 139.16 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -111.85 144.17 30.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.98 3.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -91.55 -49.2 6.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.45 48.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -141.41 168.61 19.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 110.373 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 1.8 t -146.2 168.19 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 176.41 -169.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.62 172.19 21.69 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.452 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 32.0 m -154.69 123.51 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.43 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -38.46 -43.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.577 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -142.61 124.48 15.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.47 123.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -179.67 68.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.453 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 5.4 t0 -144.72 -175.96 4.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 55' ' ' HIS . 3.5 pm0 -60.5 -40.11 90.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.424 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 6.1 m-70 -171.03 104.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.45 8.64 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 73' ' ' THR . 32.3 mt-30 -45.16 153.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 37' ' ' LEU . 18.1 mt -156.25 172.18 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -178.46 132.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -98.56 163.84 12.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 2.5 t -145.12 56.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.474 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -44.01 128.52 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -118.39 -2.69 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.519 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 158.65 142.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.17 138.89 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 67.75 14.74 65.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.519 ' O ' ' O ' ' A' ' 64' ' ' SER . 1.9 tt0 -164.13 103.91 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.768 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.495 ' O ' ' CD2' ' A' ' 98' ' ' LEU . 32.7 m -133.23 170.78 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.546 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 14.1 m-85 -123.2 168.46 12.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 96.1 mt -145.52 127.18 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.27 103.85 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.465 ' CB ' HG22 ' A' ' 39' ' ' ILE . 1.5 t -64.36 74.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 73' ' ' THR . 13.8 t -45.8 94.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' SER . 2.0 tm-20 166.88 -36.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.9 p -97.56 -102.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.67 39.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.77 -177.14 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 36.3 m-85 -131.53 129.3 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 6.9 tp -45.65 161.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.558 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -178.81 175.47 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.38 113.22 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.534 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 66.3 m-20 -71.71 178.04 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.46 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 33.5 p -58.42 -15.66 11.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -85.9 -6.83 59.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.506 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 67.79 14.19 64.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -90.08 106.81 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 6.6 mp -39.15 123.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 3.4 p90 -148.24 146.14 28.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.84 153.73 31.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.06 133.01 18.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.68 2.88 18.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.454 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 11.5 p -116.09 92.46 35.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.449 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.0 101.45 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -157.19 -152.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.75 68.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.466 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 11.0 tt0 179.95 -43.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -79.77 -25.65 40.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 108.3 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.546 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -60.52 177.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -154.24 119.04 4.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -66.59 100.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -83.54 165.58 18.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.35 81.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 102' ' ' ARG . 3.6 tp -29.56 94.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 102' ' ' ARG . 3.6 tm-20 -60.32 -49.88 75.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.2 tt0 -110.35 -105.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.579 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 42.3 p-10 -150.35 43.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 7.9 m170 -177.16 -58.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.575 ' CE2' HD11 ' A' ' 145' ' ' LEU . 9.6 m-85 -64.15 150.37 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 7.8 m-20 -117.86 65.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.537 ' CG2' HG13 ' A' ' 144' ' ' ILE . 69.7 p -53.78 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.488 ' CE1' HG22 ' A' ' 68' ' ' VAL . 5.2 m-85 -80.09 -170.74 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.556 HD12 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -161.25 144.91 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.564 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 30.4 t -55.35 88.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.482 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 1.6 tttm -56.17 -24.76 43.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.564 ' HE3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.38 -14.85 58.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.564 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.97 72.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.602 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 112' ' ' ILE . . . -82.21 -1.23 48.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.67 -18.1 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.8 OUTLIER -110.33 7.14 22.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER 61.1 23.8 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 31.3 m0 -55.6 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.556 ' CE2' HD12 ' A' ' 112' ' ' ILE . 6.0 m-85 -74.33 -170.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 111' ' ' TYR . 4.5 p -131.85 99.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -152.35 159.31 28.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -115.76 121.12 41.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 128' ' ' ASN . 0.0 OUTLIER -35.6 131.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -68.05 58.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 126' ' ' LYS . 11.1 m120 -150.8 -45.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 138.09 74.65 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.9 140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.975 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 166.86 5.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 108.275 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 136' ' ' ARG . 11.5 tttt -106.99 154.0 21.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 135' ' ' PRO . 0.0 OUTLIER -96.4 152.05 18.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -43.71 -51.38 6.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -75.06 49.13 2.19 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.1 OUTLIER 169.39 38.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -121.89 73.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -138.12 139.05 39.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.175 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.635 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 13.9 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.635 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 108' ' ' TYR . 4.7 mt -50.63 92.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.578 ' CZ ' HD13 ' A' ' 37' ' ' LEU . 1.9 m-85 -95.54 123.92 39.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.33 103.02 46.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.56 19.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.416 HD23 ' CD1' ' A' ' 27' ' ' LEU . 1.7 pp -125.87 79.39 68.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.488 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.97 164.97 32.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 1.6 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 4.1 tptt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.516 ' CD1' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -162.28 123.84 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -88.36 177.24 6.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.672 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 9.6 t80 -175.44 159.66 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.596 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 61.5 m -80.38 120.73 24.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.314 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 52.3 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 1.7 m80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 32.1 m-85 -123.0 100.16 6.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -34.6 148.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.515 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 3.8 ptp180 -149.11 146.72 27.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.426 HG22 ' CB ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -122.82 117.74 52.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -88.07 141.92 31.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 7.83 2.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.2 -28.94 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.35 18.93 5.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.481 ' CB ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.23 141.99 50.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 110.38 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.431 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 2.3 t -112.48 169.15 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' C ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER 173.61 -171.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.66 145.17 16.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.515 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 3.3 m -121.76 126.36 48.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 12.5 ttm180 -38.6 -34.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -148.9 117.91 6.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.38 120.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.5 p -179.16 68.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 4.4 t0 -140.67 -174.37 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.456 ' NE2' ' CG ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -57.82 -39.09 76.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 2.4 m-70 -173.99 106.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.438 ' HB ' ' CB ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -107.89 14.42 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -49.99 149.9 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.518 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -147.52 167.64 23.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -174.14 127.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.571 HD23 ' CE2' ' A' ' 111' ' ' TYR . 1.8 mt -93.93 162.42 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.447 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.1 t -144.44 51.61 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.484 ' CB ' HG13 ' A' ' 68' ' ' VAL . . . -39.01 125.95 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -117.35 -1.66 11.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.63 127.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -38.89 144.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.22 5.46 76.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 3.0 tt0 -170.59 105.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.504 ' CG1' ' HB2' ' A' ' 101' ' ' GLU . 34.3 m -125.44 169.47 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 17.1 m-85 -117.39 167.93 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 95.1 mt -146.66 128.71 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -132.45 103.57 6.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' GLN . 6.0 t -63.01 78.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 73' ' ' THR . 1.6 t -51.46 110.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.519 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 18.5 tp10 165.58 -42.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 76' ' ' GLY . 1.5 t -152.87 50.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.395 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.29 85.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -142.77 127.05 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.32 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 41.0 m-85 -110.06 106.8 16.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 5.6 tp -50.67 146.5 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.564 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -163.56 -174.54 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.502 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -151.99 116.59 5.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -77.58 178.23 7.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.588 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 21.6 m -57.73 -16.29 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -89.92 10.7 22.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 47.93 23.03 2.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -94.88 104.6 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 123' ' ' VAL . 3.1 mp -39.83 124.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 4.9 p90 -148.19 169.12 20.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -116.25 146.35 18.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 145.45 33.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -78.83 2.8 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 p -116.57 94.24 42.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 100.24 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.8 m-80 -137.11 -174.27 3.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' ASN . 1.2 mp0 -36.51 -33.4 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 94' ' ' ASN . 7.4 tt0 -65.25 -65.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.7 t -47.57 -36.53 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.326 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.563 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 2.8 mt -52.27 172.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -154.81 112.29 3.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 111.075 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -49.52 103.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.504 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 1.1 tt0 -87.53 141.44 28.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.629 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -162.13 67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -21.01 95.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -50.28 -54.86 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.6 tt0 -113.11 -102.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.543 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.6 t30 -143.78 40.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.4 m170 179.85 -47.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.544 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 2.4 m-85 -71.55 113.49 8.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 7.8 m120 -89.91 49.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 104' ' ' GLU . 1.1 p -40.67 99.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.571 ' CE2' HD23 ' A' ' 60' ' ' LEU . 5.1 m-85 -88.62 174.15 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.59 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -155.68 132.42 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.562 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 15.7 t -36.19 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.497 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 1.9 tmtm? -67.23 -26.08 66.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.484 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -65.63 -11.64 46.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.562 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -179.92 70.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.83 -3.3 53.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -61.2 -19.23 61.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 3.8 mttt -101.91 -1.02 32.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.543 ' O ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 68.87 15.28 8.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.588 ' CH2' ' O ' ' A' ' 83' ' ' THR . 45.3 m0 -51.15 109.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 108.046 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 29.5 m-85 -90.17 -176.59 4.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 7.5 p -117.71 22.98 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.501 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -98.02 111.71 4.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.6 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -63.3 114.69 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 128' ' ' ASN . 3.7 tmtt? -23.01 112.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.524 ' CE ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -60.91 62.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.682 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -137.02 -41.51 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.51 50.31 0.1 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 131' ' ' CYS . 1.6 t 169.52 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 110.02 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . 0.416 ' O ' ' CD ' ' A' ' 132' ' ' LYS . 2.5 t -48.11 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.5 mptt -141.66 158.89 43.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 135' ' ' PRO . 27.0 ptt180 -85.28 164.22 18.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.576 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.15 -58.03 1.05 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.4 Cg_endo -74.96 58.97 5.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 177.28 37.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.432 ' CG2' ' C ' ' A' ' 136' ' ' ARG . 3.6 p -149.31 101.22 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.579 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -143.92 -178.83 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.45 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.583 HD13 ' CE2' ' A' ' 122' ' ' PHE . 18.1 pt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.507 ' CB ' ' OG ' ' A' ' 31' ' ' SER . 11.5 mt -70.44 111.81 6.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.605 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 6.4 m-85 -116.77 135.81 53.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.93 102.64 19.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.6 18.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.405 ' N ' ' HD3' ' A' ' 150' ' ' PRO . 1.5 pp -132.78 64.57 71.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 149' ' ' LEU . 18.3 Cg_endo -75.06 -169.37 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HE3' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.514 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 1.2 pp -149.24 109.97 4.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.7 OUTLIER -63.57 171.31 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 9.0 t80 -165.36 143.23 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.649 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 10.9 m -77.54 149.58 34.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.582 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 2.0 m80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 82.6 m-85 -109.85 98.52 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -39.0 132.05 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.506 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 4.5 ptp180 -124.93 173.64 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.99 143.33 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.436 HD21 ' CB ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -111.65 145.19 32.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.87 6.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.22 -55.81 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.37 44.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -137.62 168.68 19.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.481 ' N ' ' CG2' ' A' ' 44' ' ' THR . 0.2 OUTLIER -148.04 159.76 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 175.86 -173.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.71 144.56 16.56 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 4.2 m -116.89 126.64 53.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 110.411 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.579 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -37.52 -36.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -146.61 120.04 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.592 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.8 114.75 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 52' ' ' SER . 8.8 p -172.52 65.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.506 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.1 t0 -137.07 -175.15 3.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.512 ' CD ' ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -72.11 -17.85 61.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.606 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 1.5 m-70 175.03 110.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.94 19.3 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -67.92 152.93 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 79' ' ' LEU . 1.1 mp -147.91 -173.64 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.52 136.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.898 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.1 161.81 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 61' ' ' SER . 5.1 t -145.44 53.55 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.053 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.511 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.35 126.41 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.99 1.9 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 172.66 172.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -73.23 149.73 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' A' ' 101' ' ' GLU . . . 49.42 21.19 2.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 64' ' ' SER . 3.4 tt0 -163.59 109.18 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.511 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 20.8 m -133.67 165.6 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 8.4 m-85 -107.14 178.22 4.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' A' ' 69' ' ' TYR . 21.3 mt -156.33 127.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -133.5 107.92 8.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' GLN . 2.0 t -57.83 83.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 73' ' ' THR . 13.8 t -59.32 82.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.606 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 9.0 tp10 -164.08 -53.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 76' ' ' GLY . 1.8 t -148.53 63.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 35.56 92.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -154.14 141.15 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 93' ' ' PRO . 29.0 m-85 -122.62 109.37 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 4.7 tp -51.52 139.72 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.542 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -162.63 178.54 8.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.422 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -140.92 116.11 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -72.78 170.76 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.444 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 5.1 m -56.68 -17.14 7.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.19 2.1 29.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.427 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 60.38 19.05 52.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -102.53 109.77 21.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.774 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.426 ' CD1' HG21 ' A' ' 123' ' ' VAL . 0.2 OUTLIER -39.48 129.18 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 2.9 p90 -149.65 170.48 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -112.56 159.03 13.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.32 140.28 19.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 110.042 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -74.82 -1.65 23.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.9 p -116.16 90.94 30.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.468 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.0 97.08 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.54 1.811 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.401 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.2 OUTLIER -130.53 -156.7 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -48.53 -34.31 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.497 ' OE2' ' CD ' ' A' ' 115' ' ' LYS . 7.9 tt0 -64.42 -68.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.1 t -41.8 -45.91 3.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 108.306 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 5.1 mt -44.9 167.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -146.01 112.56 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.38 99.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.549 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -83.43 174.19 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.546 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER 177.07 82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.546 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.2 OUTLIER -27.99 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -68.4 -37.04 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.2 tt0 -124.46 -107.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.584 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 8.5 t30 -152.29 37.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 17.2 m170 -169.44 -71.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.639 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.645 ' CG ' ' HB3' ' A' ' 145' ' ' LEU . 25.9 m-85 -49.24 -178.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.632 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 88.1 m-20 -148.54 78.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.61 ' CG2' HG13 ' A' ' 144' ' ' ILE . 73.2 p -68.86 96.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.632 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 10.5 m-85 -79.79 178.3 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.553 ' CG2' ' CB ' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -155.71 129.67 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 112' ' ' ILE . 7.6 t -35.86 102.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.4 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 12.6 tttm -68.96 -39.26 79.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.497 ' CD ' ' OE2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -53.55 -20.77 5.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.435 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -172.91 73.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.55 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.553 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -86.04 -4.91 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.41 -14.09 25.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -107.72 1.09 22.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER 65.38 23.39 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 38.7 m0 -59.35 89.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.01 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.624 ' CE2' HD11 ' A' ' 144' ' ' ILE . 11.0 m-85 -66.89 -173.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.588 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 7.7 p -123.37 21.89 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.431 ' O ' ' HG ' ' A' ' 125' ' ' LEU . . . -82.0 -176.2 51.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -147.31 116.64 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.737 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 128' ' ' ASN . 35.2 tttt -37.37 128.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.534 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.88 58.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 126' ' ' LYS . 15.2 m120 -132.29 -43.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.582 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 131.49 60.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 131' ' ' CYS . 2.1 m 169.72 134.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.746 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 130' ' ' SER . 2.0 t -47.78 172.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 108.297 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -116.17 145.35 43.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.503 ' O ' ' CG2' ' A' ' 137' ' ' THR . 0.0 OUTLIER -78.66 151.51 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.937 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.512 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -34.97 -67.24 0.29 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.95 54.39 3.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 4.2 mtt180 -175.88 33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 2.2 p -136.31 103.78 5.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.429 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -157.12 136.9 12.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.632 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.653 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 6.3 p90 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.653 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.645 ' HB3' ' CG ' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -55.77 99.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.649 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 2.8 m-85 -89.29 120.4 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -104.14 104.24 42.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -74.97 135.84 19.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 149' ' ' LEU . 2.7 pp -132.12 74.3 76.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.49 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.98 164.92 32.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 2.5 pp -176.17 146.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.48 170.24 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -154.7 127.27 7.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -75.88 120.73 21.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.48 ' OG ' ' CZ ' ' A' ' 108' ' ' TYR . 3.7 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.7 m80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 87.1 m-85 -116.79 103.65 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -37.77 132.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 1.4 ptp180 -135.96 160.37 38.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.49 ' CG2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -156.88 152.12 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 44' ' ' THR . 0.4 OUTLIER -113.74 139.73 23.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.494 ' CD ' ' OE1' ' A' ' 54' ' ' GLN . 18.3 Cg_endo -75.01 4.94 4.3 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.0 -43.0 11.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.83 44.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 40' ' ' LEU . 2.0 m -142.73 162.21 36.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -151.01 161.19 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.94 -171.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' ' 125' ' ' LEU . . . -125.9 166.32 18.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 26.7 m -143.94 124.42 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.99 -25.06 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.537 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -152.15 128.81 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -52.96 115.54 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -178.02 68.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.505 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 1.5 t0 -141.41 -175.32 4.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.576 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -57.18 -36.19 70.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.576 ' N ' HE21 ' A' ' 54' ' ' GLN . 0.6 OUTLIER -179.49 108.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.574 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -111.28 26.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.4 ' NE2' ' H ' ' A' ' 26' ' ' LYS . 14.3 mt-30 -78.15 124.96 28.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 37' ' ' LEU . 1.3 mp -138.7 115.07 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.44 ' NE2' ' HD3' ' A' ' 26' ' ' LYS . 10.8 tp-100 -105.74 158.19 16.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -107.49 163.45 13.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 61' ' ' SER . 3.0 t -149.96 52.61 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.491 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -44.51 128.98 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -121.98 0.82 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.519 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 161.78 151.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.9 m -57.97 137.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.416 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 72.02 6.1 63.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.545 1.153 . . . . 0.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.519 ' O ' ' O ' ' A' ' 64' ' ' SER . 3.0 tt0 -156.75 101.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 21.7 m -131.55 166.55 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.574 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 24.3 m-85 -117.69 167.84 10.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 60' ' ' LEU . 94.2 mt -144.13 122.46 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.19 130.38 55.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.504 ' O ' ' C ' ' A' ' 73' ' ' THR . 23.3 t -76.09 69.63 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.504 ' C ' ' O ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -29.14 95.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.405 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.531 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 2.0 tm-20 176.18 -70.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -127.34 59.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 30.54 62.84 0.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 0.0 OUTLIER -99.71 -165.47 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.416 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 32.7 m-85 -161.06 122.48 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.69 138.45 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -152.79 174.9 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ttm -137.49 119.53 15.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.2 175.43 6.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.597 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 37.6 m -56.41 -17.88 9.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -90.02 13.04 15.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.502 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 50.9 20.69 4.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -94.05 103.48 15.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 8.0 mp -38.18 126.86 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.523 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 4.5 p90 -148.53 158.66 44.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.25 145.19 17.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.78 135.09 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.0 41.5 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.8 p -143.57 90.54 7.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.453 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.96 95.42 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.453 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -160.46 -152.99 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -65.58 72.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 94' ' ' ASN . 9.6 tt0 179.88 -58.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 1.3 t -63.66 -35.96 82.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.27 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 2.8 mt -45.83 170.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.14 99.62 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.541 ' CD1' ' CB ' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -48.2 100.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.473 ' CB ' HG23 ' A' ' 68' ' ' VAL . 4.2 tm-20 -118.95 159.17 24.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.42 ' O ' ' OE2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -151.7 -93.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 102' ' ' ARG . 4.2 tp -176.45 119.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.501 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 13.2 tm-20 -95.68 -35.57 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.515 ' HG2' ' CE1' ' A' ' 107' ' ' HIS . 2.0 tt0 -130.17 -114.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 1.4 t-20 -137.8 30.13 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.519 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -170.12 -66.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.596 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.581 ' CD2' HD12 ' A' ' 145' ' ' LEU . 7.1 m-85 -38.82 159.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 11.4 m120 -132.37 68.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 104' ' ' GLU . 70.0 p -60.27 99.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 15.6 m-85 -79.53 -178.15 6.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.578 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 19.2 mt -156.97 134.69 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.597 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 8.3 t -48.36 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -55.36 -40.19 70.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -20.91 5.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.597 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -168.02 71.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.583 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.541 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -87.35 -8.29 56.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -58.79 -15.58 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.9 OUTLIER -108.01 3.33 23.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.4 OUTLIER 61.39 30.81 19.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.1 m0 -64.44 86.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 108.034 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.578 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 15.3 m-85 -71.13 -175.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 14.3 p -125.04 108.56 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -157.52 164.17 32.9 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 126' ' ' LYS . 1.5 mt -119.21 118.58 31.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ASN . 8.4 tttt -33.81 131.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.532 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -68.08 59.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -154.85 -44.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.942 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 136.67 78.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.53 151.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 163.38 25.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.34 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.19 157.38 16.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 149.24 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.621 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -43.33 -53.01 5.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.4 Cg_endo -75.03 49.01 2.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.99 39.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -122.52 61.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -126.92 135.8 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.637 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.616 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 11.9 p90 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.616 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.581 HD12 ' CD2' ' A' ' 108' ' ' TYR . 7.1 mt -51.9 103.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -108.67 118.49 36.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.63 103.64 54.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.403 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.3 Cg_endo -75.01 138.91 23.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.489 ' O ' ' CD1' ' A' ' 149' ' ' LEU . 3.2 pp -124.77 73.45 63.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.502 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.99 163.94 34.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.465 HD23 ' CZ ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -137.69 116.67 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.514 HD23 ' CG ' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -91.13 154.36 19.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -144.64 132.98 21.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.592 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -96.08 105.04 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 30' ' ' CYS . 53.6 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.1 m80 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.486 ' O ' ' C ' ' A' ' 37' ' ' LEU . 94.7 m-85 -121.12 97.8 5.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 1.0 OUTLIER -33.72 147.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.458 ' NH2' ' CG ' ' A' ' 53' ' ' ASP . 7.6 ptp180 -143.68 131.68 21.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.486 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -110.18 111.35 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' CB ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.86 141.8 33.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 8.98 2.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.447 1.761 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -29.29 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.02 17.05 5.54 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.473 ' CB ' HD11 ' A' ' 40' ' ' LEU . 1.1 m -119.7 137.7 53.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 110.373 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.451 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 2.3 t -116.22 169.53 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.451 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.43 -171.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.441 ' HA3' ' CD1' ' A' ' 125' ' ' LEU . . . -127.52 154.85 19.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' PHE . 65.4 m -129.37 123.37 31.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -38.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.477 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 2.9 m-20 -144.28 125.45 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.8 103.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 p -155.21 56.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.473 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -129.08 -168.53 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.566 ' NE2' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -78.58 -41.25 32.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -159.21 101.55 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.614 179.941 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.504 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 1.2 pp -119.07 9.69 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.41 ' NE2' ' CD ' ' A' ' 74' ' ' GLU . 11.4 mp0 -58.35 152.76 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 37' ' ' LEU . 1.9 mp -145.21 178.17 8.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' OE1' ' CD ' ' A' ' 26' ' ' LYS . 3.7 tp-100 -177.88 153.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.498 ' CD1' ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -113.37 164.25 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.456 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.7 t -145.97 56.3 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.77 127.91 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.3 OUTLIER -118.93 -1.93 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.247 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.13 137.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.14 137.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.508 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 72.28 10.85 75.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.517 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 2.4 tt0 -163.5 104.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 110.26 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.464 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 27.7 m -130.3 167.33 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 8.9 m-85 -116.52 169.63 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.504 ' CD1' ' CD2' ' A' ' 99' ' ' PHE . 86.2 mt -146.91 125.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.605 ' HZ3' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -132.11 113.63 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.605 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 1.3 t -68.17 71.15 0.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 73' ' ' THR . 14.9 t -50.99 89.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 73' ' ' THR . 2.4 mm-40 159.45 -25.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.2 m -108.5 -29.51 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.81 15.61 57.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.458 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -112.82 -172.85 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 20.9 m-85 -132.46 149.11 52.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 39' ' ' ILE . 10.1 tp -86.64 114.65 23.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.563 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -137.14 169.4 17.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.01 98.92 4.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.563 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 44.0 m-20 -54.78 170.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.472 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 1.1 p -60.41 -14.21 17.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -72.8 -15.87 61.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.469 ' CA ' ' CZ3' ' A' ' 121' ' ' TRP . . . 79.5 15.17 80.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -113.23 114.22 26.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 123' ' ' VAL . 6.7 mp -40.22 134.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.1 p90 -151.02 170.74 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -88.5 147.77 20.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -146.12 113.37 6.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.985 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -0.38 20.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.444 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 11.1 p -116.43 94.6 43.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.459 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.98 100.79 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -158.27 -149.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -65.93 68.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' ASN . 8.4 tt0 179.86 -48.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -70.75 -37.33 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.543 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -47.63 173.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.504 ' CD2' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -148.76 101.2 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -55.38 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 111' ' ' TYR . 12.9 tm-20 -118.8 167.2 11.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -153.8 -89.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.284 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 179.24 125.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.446 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 22.5 tt0 -96.17 -33.41 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -130.11 -97.83 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.577 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 5.1 t30 -166.99 52.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 4.6 m170 -179.95 -62.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.604 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.592 ' CD2' ' CD1' ' A' ' 145' ' ' LEU . 9.7 m-85 -60.77 -172.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.501 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 6.0 m120 -153.59 84.33 1.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 104' ' ' GLU . 17.9 p -72.16 102.13 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.517 ' CD2' ' HB2' ' A' ' 101' ' ' GLU . 13.8 m-85 -78.98 -178.19 5.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.581 HD13 ' CE2' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -159.28 114.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 112' ' ' ILE . 23.8 p -33.01 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.517 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 4.2 tttm -55.76 -25.26 39.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.48 -4.81 58.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.743 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -148.29 31.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.602 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 113' ' ' SER . . . -66.69 -10.85 50.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.96 -22.16 53.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -108.32 3.63 23.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER 56.95 29.43 16.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.743 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 27.9 m0 -64.16 81.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CE2' HD13 ' A' ' 112' ' ' ILE . 13.0 m-85 -58.37 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.523 HG11 ' O ' ' A' ' 123' ' ' VAL . 13.1 p -121.11 109.48 25.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -163.13 150.63 19.67 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -105.34 125.46 51.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 128' ' ' ASN . 10.7 tttt -35.05 130.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 59.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 126' ' ' LYS . 10.3 m120 -156.55 -43.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 139.81 69.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.5 t 174.71 144.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.972 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.6 178.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.348 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -85.06 -155.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.675 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -156.65 100.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.675 ' C ' ' O ' ' A' ' 133' ' ' ARG . . . 2.44 -80.56 0.0 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ARG . 18.4 Cg_endo -74.95 58.5 4.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER 169.33 40.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.485 HG22 ' CA ' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -135.49 59.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -118.61 134.48 55.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.605 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 8.1 p90 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.605 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 1.6 pt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.592 ' CD1' ' CD2' ' A' ' 108' ' ' TYR . 4.1 tp -58.11 82.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.592 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 m-85 -89.07 121.31 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.56 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.8 OUTLIER -113.65 106.88 53.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.83 5.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.456 1.766 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.52 73.74 68.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.529 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -75.0 168.63 24.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 2.3 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.469 HD23 ' CZ ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -146.34 118.74 8.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.7 OUTLIER -80.89 164.59 22.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 21.8 t80 -138.82 138.64 37.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.01 136.47 33.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 108.298 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.984 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 27.5 m80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 51.6 m-85 -140.78 105.17 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -34.89 142.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 3.9 ptp180 -144.9 159.46 42.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.597 ' CD1' ' CD2' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -147.61 151.82 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 44' ' ' THR . 0.5 OUTLIER -109.38 143.14 27.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 3.98 5.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.08 -48.69 7.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.17 45.16 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 40' ' ' LEU . 1.5 m -143.16 166.07 25.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.54 ' CG1' ' CD1' ' A' ' 39' ' ' ILE . 1.0 OUTLIER -143.51 163.93 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 172.27 -171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.47 177.07 17.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.552 1.157 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.505 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 29.9 m -154.24 123.13 6.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.491 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -34.94 -40.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -143.41 124.66 14.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 2.8 ptt180 -47.18 119.49 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 179.98 69.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.497 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -141.14 -175.62 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.728 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 3.3 mp0 -51.86 -47.14 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 3.1 m-70 -169.42 103.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.513 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 1.3 pp -106.83 13.59 8.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -64.95 149.11 50.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -143.31 -172.97 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' HB2' ' CG2' ' A' ' 73' ' ' THR . 4.8 tp60 -177.27 134.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.527 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -97.53 161.12 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 t -144.39 51.54 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.07 126.0 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -115.76 -2.44 12.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER 159.35 132.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -41.14 137.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.61 -7.21 58.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.474 ' HG3' ' CE ' ' A' ' 114' ' ' LYS . 3.3 tt0 -151.21 104.76 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.461 ' O ' ' CD2' ' A' ' 98' ' ' LEU . 32.8 m -128.83 166.28 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.561 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 21.1 m-85 -120.23 167.35 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 96.8 mt -143.27 125.62 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.551 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -124.45 105.85 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 74' ' ' GLU . 8.8 t -55.91 86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.506 ' O ' ' CB ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -56.2 83.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 0.0 110.399 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.4 mm-40 159.84 -48.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.474 HG22 ' CG2' ' A' ' 39' ' ' ILE . 40.4 p -80.92 -11.77 59.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.18 4.74 37.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -102.0 -164.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 58.5 m-85 -131.54 159.5 38.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.597 ' CD2' ' CD1' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -89.7 154.56 19.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.549 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -173.54 174.28 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.584 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -136.26 96.54 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.575 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 58.4 m-20 -49.32 169.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.502 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 1.4 p -60.27 -14.03 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 21.07 3.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 44.9 25.02 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tt -104.34 108.06 19.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.1 mp -39.87 122.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -150.52 162.03 41.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 110.999 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -114.14 158.7 14.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.15 161.05 39.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -88.21 39.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.2 p -145.35 91.96 5.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 85.95 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.413 ' N ' HD21 ' A' ' 94' ' ' ASN . 2.2 m-80 -129.3 -175.05 3.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER -38.68 -34.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.239 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -64.83 -65.56 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -50.16 -28.86 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 1.2 mt -64.73 168.25 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -145.26 100.63 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.13 101.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.477 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER -110.1 145.76 36.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -142.12 -94.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.76 121.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.493 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 3.9 tm-20 -95.93 -45.54 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 3.2 mm-40 -129.96 -103.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.557 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 2.2 t30 -161.78 42.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.557 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -162.94 -51.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.619 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.536 ' CE2' ' CD2' ' A' ' 145' ' ' LEU . 4.5 m-85 -81.57 -171.65 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.606 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 5.1 m120 -152.14 65.8 0.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 104' ' ' GLU . 41.2 p -48.53 121.22 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.606 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 3.0 m-85 -106.12 171.59 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.577 HD13 ' CE1' ' A' ' 122' ' ' PHE . 0.9 OUTLIER -150.63 120.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 17.1 t -37.6 102.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.474 ' CE ' ' HG3' ' A' ' 67' ' ' GLU . 20.0 tttm -59.72 -27.39 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.97 -26.06 68.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.608 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -155.59 64.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.627 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -89.28 -9.8 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.65 -7.58 45.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -111.77 -1.9 15.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.23 42.21 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 44.1 m0 -84.0 77.53 9.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.046 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.588 ' CE2' HD11 ' A' ' 144' ' ' ILE . 15.6 m-85 -54.52 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.569 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 12.6 p -117.09 22.0 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.478 ' HA3' ' CG2' ' A' ' 144' ' ' ILE . . . -88.26 104.39 3.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.521 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.5 OUTLIER -59.96 125.02 22.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -30.79 123.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.448 ' HD3' ' C ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.1 58.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.1 t-20 -141.41 -43.65 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.56 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 127.11 67.43 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.89 132.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . 0.504 ' SG ' ' CD2' ' A' ' 125' ' ' LEU . 0.6 OUTLIER -64.89 159.53 22.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.287 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -116.22 -179.41 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.36 140.45 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.4 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 62.2 -140.48 46.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.448 ' O ' ' NE ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.01 77.09 3.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.448 ' NE ' ' O ' ' A' ' 135' ' ' PRO . 0.4 OUTLIER -160.07 26.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.7 OUTLIER -152.36 92.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.438 ' CE1' ' H ' ' A' ' 137' ' ' THR . 0.6 OUTLIER -140.91 -170.41 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.564 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.426 ' CD1' ' CD1' ' A' ' 144' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.588 HD11 ' CE2' ' A' ' 122' ' ' PHE . 5.2 pt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.536 ' CD2' ' CE2' ' A' ' 108' ' ' TYR . 10.7 mp -68.77 85.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.44 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 4.8 m-85 -91.32 119.31 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.46 HD22 ' CB ' ' A' ' 107' ' ' HIS . 0.7 OUTLIER -101.37 108.11 53.74 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -74.98 128.48 11.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.8 pp -132.92 66.06 75.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.488 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.96 167.27 27.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.577 HD12 ' CE1' ' A' ' 36' ' ' PHE . 1.7 pp -174.04 126.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.234 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -84.17 156.13 22.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 30' ' ' CYS . 45.2 t80 -155.65 136.94 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.629 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -76.24 165.63 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 108.289 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.515 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CZ ' ' HD3' ' A' ' 51' ' ' ARG . 92.8 m-85 -141.06 84.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' CD1' HD13 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -35.77 153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' NE ' ' HG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -143.35 158.33 43.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.554 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -125.08 107.03 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -87.42 141.96 32.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 8.83 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.36 -31.65 13.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.14 21.46 4.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.1 m -121.04 131.35 54.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 0.741 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.535 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -110.72 166.29 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.535 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 175.73 -172.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.78 138.18 9.95 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.491 ' HG1' ' NE ' ' A' ' 38' ' ' ARG . 78.7 m -115.91 123.48 48.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -40.49 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -128.22 113.34 15.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.588 ' HD3' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -51.19 121.48 6.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' A' ' 52' ' ' SER . 0.7 OUTLIER 179.45 70.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' CG ' ' OE1' ' A' ' 54' ' ' GLN . 22.8 t0 -140.75 -176.78 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.556 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 3.3 pm0 -52.73 -40.08 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 54' ' ' GLN . 18.5 m-70 -173.45 106.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.63 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -110.61 16.54 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.4 ' CD ' ' OE1' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -67.35 128.5 36.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -121.26 172.42 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -169.91 139.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.21 161.22 13.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.5 t -145.74 52.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -42.49 126.77 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -115.98 -2.85 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.0 130.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -39.12 142.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.24 4.22 67.87 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 1.5 tt0 -165.23 103.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.319 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.496 ' CG2' ' CE2' ' A' ' 111' ' ' TYR . 35.8 m -128.41 168.02 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 16.5 m-85 -117.45 166.1 12.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.2 mt -145.6 130.0 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.8 128.0 29.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.504 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 16.2 t -82.09 70.09 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 73' ' ' THR . 11.8 t -38.53 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.528 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 175.54 -51.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 76' ' ' GLY . 15.1 t -138.01 46.08 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 37.01 48.61 1.42 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.444 ' HG2' ' CD1' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -109.56 114.1 27.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 51.4 m-85 -91.73 154.93 18.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.7 tp -97.74 144.99 26.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 97' ' ' CYS . . . -166.24 -178.62 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.04 115.15 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.574 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 34.5 m-20 -73.16 170.96 13.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.421 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 2.5 m -55.62 -18.08 6.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.88 7.66 20.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 55.32 17.85 12.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -96.39 105.54 17.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.489 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.4 mp -38.62 134.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.574 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.6 p90 -161.73 164.4 29.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -116.58 164.0 12.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.99 153.41 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 10.7 tt0 -78.7 2.89 18.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.2 p -116.1 90.6 29.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.459 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.03 109.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 3.0 m-80 -148.55 -172.85 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -37.77 -31.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 94' ' ' ASN . 4.6 tt0 -66.86 -59.07 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 17.3 t -60.2 -26.0 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.294 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.53 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 3.0 mt -59.95 174.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -153.61 114.3 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -57.19 101.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 6.9 tt0 -78.81 162.7 25.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.73 86.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -35.76 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.8 tm-20 -52.67 -43.27 65.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -126.56 -104.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.569 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 7.0 t30 -137.55 24.09 2.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 69.7 m-70 -165.81 -66.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' A' ' 145' ' ' LEU . 23.3 m-85 -49.91 131.07 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.625 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 10.0 m120 -109.1 80.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.556 ' CG2' HG13 ' A' ' 144' ' ' ILE . 57.9 p -72.87 96.87 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.625 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 18.0 m-85 -79.62 179.63 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.585 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -157.3 136.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.573 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 5.8 t -38.34 106.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.496 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 3.4 tmtm? -74.1 -16.31 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.485 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -80.24 -8.99 59.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.573 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.87 63.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.487 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -76.31 -10.36 59.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -59.34 -15.43 16.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -101.57 -3.2 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.07 19.61 7.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 45.9 m0 -59.23 108.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CE2' HD11 ' A' ' 144' ' ' ILE . 16.4 m-85 -88.9 178.85 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.599 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 7.5 p -112.34 9.64 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.54 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -85.79 102.97 2.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.599 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -59.8 121.48 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 128' ' ' ASN . 20.0 tttt -23.76 117.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.62 60.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.622 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.8 t-20 -140.13 -44.66 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.515 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 131.54 59.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 129' ' ' GLY . 2.1 m 168.54 125.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 1.7 t -45.04 162.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.474 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -134.78 133.95 40.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -58.8 163.83 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -40.49 -56.84 2.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.3 Cg_endo -74.99 54.97 3.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.465 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -174.35 33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 7.6 p -145.51 96.55 2.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.427 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.1 OUTLIER -143.6 171.2 14.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.578 ' CD1' HD13 ' A' ' 144' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.586 HD11 ' CE2' ' A' ' 122' ' ' PHE . 2.4 pt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.491 ' CD2' ' CD2' ' A' ' 108' ' ' TYR . 8.3 mp -72.92 93.39 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.626 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 9.8 m-85 -100.37 121.46 41.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.449 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -106.98 103.89 49.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.4 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.2 Cg_endo -74.99 135.56 19.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.803 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.436 ' O ' ' CD1' ' A' ' 149' ' ' LEU . 3.1 pp -131.31 66.66 79.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.488 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.96 167.24 27.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 2.4 mttt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.02 0.11 9.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE3' ' CA ' ' A' ' 27' ' ' LEU . 1.9 tptt -172.82 138.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' CA ' ' HE3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -168.48 150.03 4.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.502 HD23 ' CG ' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -109.51 157.71 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.533 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 67.4 t80 -143.32 145.41 32.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -93.64 143.73 26.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 108.306 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 2.7 t -54.64 -94.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 33' ' ' GLY . 2.6 t30 -63.76 -55.04 26.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -34.19 -40.55 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.533 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 62.46 11.54 35.07 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.531 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 2.8 m80 -92.38 173.51 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 109.603 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 74.4 m-85 -133.1 99.06 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.561 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -37.61 150.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.495 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 6.1 ptp180 -146.82 144.32 29.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.496 ' CG2' ' OG ' ' A' ' 72' ' ' SER . 0.9 OUTLIER -118.1 116.23 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -87.12 142.13 33.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.04 8.39 2.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.84 -28.09 16.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.22 24.94 3.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.477 ' CB ' HD13 ' A' ' 40' ' ' LEU . 2.3 m -125.68 145.34 50.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.444 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 2.1 t -118.07 169.64 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.444 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 172.41 -171.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' CA ' HD23 ' A' ' 125' ' ' LEU . . . -135.89 142.69 14.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.476 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 21.9 m -117.12 124.72 49.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -43.12 -26.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.237 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -152.47 118.01 5.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -41.62 120.59 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 52' ' ' SER . 1.5 t 179.9 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 3.0 t0 -142.52 -176.65 4.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.437 ' NE2' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -54.62 -45.01 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 7.8 m-70 -168.9 103.17 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.567 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.61 16.74 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 151.47 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mt -141.15 170.57 15.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -176.93 142.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -109.91 160.65 16.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.423 ' O ' ' OG ' ' A' ' 61' ' ' SER . 3.3 t -144.87 55.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.524 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -41.41 131.86 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -124.16 -0.88 8.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.538 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 159.6 136.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.43 141.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 67.71 11.04 59.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' O ' ' O ' ' A' ' 64' ' ' SER . 3.7 tt0 -163.51 101.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.524 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 25.2 m -131.11 167.48 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CD1' HD22 ' A' ' 98' ' ' LEU . 22.6 m-85 -115.87 165.34 13.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.0 mt -147.71 127.68 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.622 ' HZ3' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -134.52 114.51 12.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.622 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 6.3 t -66.78 71.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 73' ' ' THR . 2.1 t -38.13 109.96 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.427 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.594 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.4 mm-40 168.56 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.08 -24.18 9.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.43 47.37 1.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 1.1 mt-30 -109.61 115.37 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 43.7 m-85 -85.79 118.29 25.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 tp -59.84 106.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -130.42 176.76 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.52 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 1.2 ttt -139.02 105.77 5.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.623 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 22.7 m-20 -64.52 166.69 8.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.468 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 78.1 m -51.77 -20.41 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.07 -11.88 61.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.461 ' O ' ' CE ' ' A' ' 81' ' ' MET . . . 72.3 21.42 79.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.462 HD11 ' CD ' ' A' ' 133' ' ' ARG . 4.8 tt -111.18 122.67 48.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.456 HD11 ' CE ' ' A' ' 81' ' ' MET . 1.5 mp -46.88 126.55 8.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.3 p90 -148.39 169.21 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -91.36 149.76 20.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.53 112.64 6.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 0.726 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -3.72 26.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.439 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 7.5 p -115.15 99.51 52.42 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.06 102.04 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.8 OUTLIER -157.07 -153.18 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.68 69.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' ASN . 3.8 tt0 -179.11 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -72.79 -33.3 66.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 69' ' ' TYR . 2.3 mt -52.31 170.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.536 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -150.54 98.0 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -41.85 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.471 ' CB ' HG23 ' A' ' 68' ' ' VAL . 17.9 tt0 -112.35 143.41 43.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.516 ' NH2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -142.8 -95.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -175.87 119.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.474 ' CB ' HG22 ' A' ' 110' ' ' THR . 5.0 tp10 -97.02 -46.48 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -120.66 -103.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.574 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.8 t30 -167.36 47.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 13.9 m170 -172.04 -64.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.591 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.597 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 8.6 m-85 -59.72 -156.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.573 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 7.6 m120 -163.69 77.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.474 HG22 ' CB ' ' A' ' 104' ' ' GLU . 71.2 p -68.36 110.37 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.573 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 12.2 m-85 -86.48 -168.5 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.516 ' CD1' ' NH2' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -160.68 114.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.473 ' OG ' ' ND1' ' A' ' 116' ' ' HIS . 31.7 t -37.62 95.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 112' ' ' ILE . 1.2 tttm -59.72 -15.53 20.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.472 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -78.52 -19.73 52.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.623 ' CE1' ' O ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -153.87 55.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.2 -21.18 60.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -63.07 -17.86 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -110.74 0.03 17.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.1 m120 53.73 50.9 16.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.577 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 39.9 m0 -85.44 81.11 8.86 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CD2' HD11 ' A' ' 144' ' ' ILE . 16.5 m-85 -55.96 179.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.536 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 7.1 p -113.88 96.47 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 131' ' ' CYS . . . -148.25 -176.57 21.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 126' ' ' LYS . 1.1 mp -142.81 126.81 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 128' ' ' ASN . 6.6 tttt -36.46 128.34 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.476 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.85 59.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 126' ' ' LYS . 2.8 m120 -150.05 -44.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 135.63 64.31 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 m 169.92 114.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . 0.449 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 1.2 t -58.41 -178.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 131' ' ' CYS . 0.0 OUTLIER -111.49 -167.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.462 ' CD ' HD11 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -170.12 110.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.545 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 94.17 -143.37 16.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.503 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.04 93.28 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 169.39 41.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -148.95 59.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.492 ' C ' ' O63' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -120.56 130.78 54.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.623 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 5.3 p90 -49.7 -177.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 150.48 -18.7 1.02 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.465 ' C ' ' CD ' ' A' ' 142' ' ' LYS . 0.1 OUTLIER -133.89 -90.29 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.548 ' CB ' ' CD1' ' A' ' 145' ' ' LEU . 0.0 OUTLIER -178.4 60.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.615 ' CB ' ' C5 ' ' A' ' 178' ' ' NTS . . . -120.59 10.89 11.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.623 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 2.4 pt -121.74 -26.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.597 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 1.1 mt -52.88 91.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.561 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 1.8 m-85 -88.98 119.89 29.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.561 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -102.37 106.83 50.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 134.29 17.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -133.99 63.94 64.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.491 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.05 164.9 32.35 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -172.22 56.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 11.7 t -56.75 87.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.951 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 151' ' ' VAL . 22.9 t -143.13 76.94 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.962 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.615 ' C5 ' ' CB ' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.62 2.46 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 1.8 tptt -146.54 147.79 31.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 HD22 ' NH2' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -163.24 129.53 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.37 162.18 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 59.3 t80 -153.39 129.9 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 151.94 39.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.417 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 5.6 t -61.14 -90.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -64.26 -68.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -35.76 -33.71 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.574 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 56.92 16.31 17.25 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -71.1 173.07 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.57 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 62.3 m-85 -137.69 102.95 4.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -38.42 145.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.49 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.3 OUTLIER -143.86 123.81 13.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.495 ' CG2' ' OG ' ' A' ' 72' ' ' SER . 0.9 OUTLIER -110.55 146.47 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -114.2 138.14 22.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.02 7.28 2.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.04 -43.33 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.41 49.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.459 ' CB ' HD21 ' A' ' 40' ' ' LEU . 1.9 m -149.95 164.59 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 110.394 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -149.25 158.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -175.84 -159.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.18 146.84 17.56 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.49 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.1 m -126.24 129.13 48.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.737 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.24 -44.16 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 51' ' ' ARG . 4.4 m-20 -134.26 107.66 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.548 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -34.31 123.0 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 52' ' ' SER . 1.4 t 179.75 69.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . 13.4 t0 -141.08 -176.03 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.708 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 3.4 mp0 -55.69 -45.82 77.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.507 ' CE1' ' HG3' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -166.28 102.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.61 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.506 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -107.29 6.28 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' NE2' ' CE1' ' A' ' 55' ' ' HIS . 2.4 mt-30 -48.9 149.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.526 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -144.87 177.52 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.428 ' NE2' ' HG2' ' A' ' 26' ' ' LYS . 17.8 tp60 -175.79 153.47 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.499 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -120.27 158.67 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.3 t -145.57 49.83 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.484 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -37.95 126.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.73 -2.32 12.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 166.23 176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 m -74.13 152.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 101' ' ' GLU . . . 49.85 24.13 5.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.476 ' CG ' ' HD2' ' A' ' 114' ' ' LYS . 5.0 tt0 -172.2 109.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.484 ' CG1' ' HA ' ' A' ' 62' ' ' ALA . 9.5 m -136.76 168.5 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.61 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 17.2 m-85 -111.21 170.43 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.474 HG23 ' CB ' ' A' ' 79' ' ' LEU . 13.3 mt -155.92 128.13 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.75 ' HZ3' ' N ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -135.23 126.49 28.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.75 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 4.5 t -70.93 90.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -49.67 90.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.507 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 2.5 tt0 -171.02 -70.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.78 -42.31 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.439 ' HA2' ' NZ ' ' A' ' 71' ' ' LYS . . . 136.04 49.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.453 1.095 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.463 ' N ' ' HZ1' ' A' ' 71' ' ' LYS . 2.3 mt-30 -105.3 115.65 30.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 49.0 m-85 -87.05 128.03 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' CB ' HG23 ' A' ' 70' ' ' ILE . 8.4 tp -69.75 109.93 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -130.54 172.28 12.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ttm -135.73 119.36 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -75.9 -177.09 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.9 m -62.48 -12.5 22.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -89.91 -1.99 58.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.489 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 63.13 14.6 54.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -93.35 107.85 19.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.482 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 5.5 mp -39.34 128.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 4.2 p90 -150.21 166.21 30.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -80.86 153.49 34.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.117 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.66 113.24 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.95 2.66 16.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 92' ' ' THR . 9.6 p -115.18 96.18 44.6 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.461 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.95 101.57 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.461 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.3 m-80 -164.37 -150.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.54 59.92 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' ASN . 3.9 tt0 -167.83 -41.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -84.3 -19.95 32.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.61 ' CD2' ' CZ ' ' A' ' 69' ' ' TYR . 2.9 mm? -64.14 167.36 6.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -146.91 97.44 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.509 ' CD1' ' CB ' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -41.94 101.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.458 ' CB ' HG23 ' A' ' 68' ' ' VAL . 3.6 tm-20 -112.45 143.2 43.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.454 ' NH2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -140.49 -98.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.405 HD21 ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -178.37 121.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' N ' HD21 ' A' ' 103' ' ' LEU . 4.4 tp10 -96.93 -61.56 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -103.13 -109.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.608 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 7.3 m120 -161.63 45.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 19.5 m170 -167.69 -60.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.625 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.612 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 6.4 m-85 -66.74 -154.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.622 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 67.6 m-20 -169.93 86.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.481 ' CG2' HG13 ' A' ' 144' ' ' ILE . 75.6 p -71.42 124.19 24.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.363 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.622 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 13.5 m-85 -99.24 -173.38 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.596 HD13 ' CE1' ' A' ' 122' ' ' PHE . 1.2 mt -159.47 134.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.461 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 9.9 t -47.43 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.476 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 1.8 tttm -63.98 -16.86 62.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.664 ' CE ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -73.89 -17.9 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.664 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -172.93 66.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.509 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -74.86 -13.99 60.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.32 -15.68 11.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -105.11 1.05 28.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 137' ' ' THR . 29.0 m120 59.25 41.14 20.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 41.3 m0 -76.43 104.71 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.609 ' CD2' HD11 ' A' ' 144' ' ' ILE . 15.2 m-85 -86.75 174.89 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.579 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 7.8 p -111.98 63.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.31 133.08 10.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -99.04 122.42 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 125' ' ' LEU . 50.9 tttt -35.98 131.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.518 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -69.34 58.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 126' ' ' LYS . 2.6 m120 -148.36 -45.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 136.52 67.31 0.06 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 t 175.27 133.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.966 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.43 170.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.64 168.08 9.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.5 OUTLIER -106.15 141.84 36.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.621 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.06 -56.8 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.07 49.63 2.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.1 38.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -123.3 66.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.531 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -133.49 135.46 44.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.6 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.672 ' HB3' ' CD1' ' A' ' 144' ' ' ILE . 26.8 p90 -57.37 -179.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 159.29 -24.29 0.32 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.562 ' HB2' ' C10' ' A' ' 178' ' ' NTS . 0.8 OUTLIER -129.19 -85.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.27 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.423 ' CD ' ' C ' ' A' ' 141' ' ' GLN . 0.0 OUTLIER 179.57 37.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.511 ' HB3' ' C4 ' ' A' ' 178' ' ' NTS . . . -94.66 14.45 21.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.672 ' CD1' ' HB3' ' A' ' 139' ' ' TYR . 2.3 pt -125.97 -25.0 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.612 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 0.7 OUTLIER -53.06 91.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 123' ' ' VAL . 2.1 m-30 -92.19 120.5 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.568 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.7 OUTLIER -101.69 107.74 52.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 125.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.033 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.2 pp -130.67 68.53 81.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.494 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.98 165.0 32.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.9 OUTLIER -165.83 51.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.4 t -60.86 82.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 151' ' ' VAL . 33.6 t -129.25 57.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.562 ' C10' ' HB2' ' A' ' 141' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 137.6 21.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HG3' ' CA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -174.55 146.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 149' ' ' LEU . 2.2 pp -148.74 111.46 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -53.57 158.0 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.502 ' HD1' ' CZ ' ' A' ' 36' ' ' PHE . 43.5 t80 -146.45 131.64 18.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -71.56 128.06 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.601 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 30.5 t -44.47 -96.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.527 ' HB3' ' CD ' ' A' ' 142' ' ' LYS . 0.7 OUTLIER -81.75 -16.56 50.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.09 -40.87 99.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 49' ' ' ARG . . . 76.34 -2.98 55.51 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 63.8 m80 -79.56 167.33 20.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.584 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE2' ' HG3' ' A' ' 51' ' ' ARG . 52.5 m-85 -137.04 102.68 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.581 HD13 ' CZ ' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -44.72 162.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.09 172.0 16.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.483 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -149.94 112.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 44' ' ' THR . 0.5 OUTLIER -88.47 140.59 30.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 8.91 2.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -94.42 -30.61 14.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.28 30.99 1.61 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.473 ' CG2' HD13 ' A' ' 40' ' ' LEU . 2.9 m -130.2 145.06 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 3.0 t -120.99 171.97 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.46 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.46 138.99 10.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' PHE . 1.2 m -111.33 126.18 54.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 34' ' ' GLY . 1.4 ttt180 -52.75 -46.38 67.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 51' ' ' ARG . 3.4 m-20 -128.13 100.22 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.588 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -30.93 118.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 52' ' ' SER . 1.2 t 179.45 69.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -139.96 -173.57 3.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -58.03 -43.21 86.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.463 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . 14.1 m-70 -169.98 104.52 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.617 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -110.19 17.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -74.02 134.28 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 37' ' ' LEU . 3.7 mp -127.08 -177.68 4.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -173.13 150.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.42 163.82 13.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.8 t -145.5 54.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.043 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.35 126.6 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -119.0 -0.88 11.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.76 135.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.13 135.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.53 -2.78 61.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' O ' ' O ' ' A' ' 64' ' ' SER . 3.2 tt0 -149.96 103.72 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 0.801 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 99' ' ' PHE . 28.4 m -128.12 163.97 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.524 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 10.5 m-85 -116.71 169.9 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 87.1 mt -146.46 128.0 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -137.57 108.55 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.553 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 4.9 t -65.48 88.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 73' ' ' THR . 12.9 t -59.62 100.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 75' ' ' THR . 10.7 pt-20 -176.82 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 4.4 t -122.39 -32.94 3.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' N ' HG21 ' A' ' 75' ' ' THR . . . 114.54 46.79 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.14 122.03 42.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 52.4 m-85 -83.9 152.38 24.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -93.26 127.34 38.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -147.23 -166.5 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.36 93.64 1.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.596 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 63.1 m-20 -46.59 171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.443 ' OG1' ' NZ ' ' A' ' 115' ' ' LYS . 1.5 m -71.61 -10.96 60.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.28 -5.78 53.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.15 20.71 77.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 tt -113.0 122.22 46.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.462 ' CD2' HG21 ' A' ' 123' ' ' VAL . 3.0 mp -50.15 125.78 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -150.82 166.05 31.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.01 147.59 17.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.7 t -135.4 148.32 49.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.54 0.74 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.471 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.0 p -117.84 88.75 31.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.485 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -74.97 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -153.02 -151.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.33 69.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 94' ' ' ASN . 22.1 tt0 179.99 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 2.0 t -80.56 -32.7 36.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.524 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -53.21 175.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.2 OUTLIER -152.58 122.34 6.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 100.94 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.8 OUTLIER -80.21 134.11 36.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.567 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.5 OUTLIER -144.48 74.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.567 ' C ' ' O ' ' A' ' 102' ' ' ARG . 14.1 tp -27.34 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -57.07 -42.98 81.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.6 tt0 -130.23 -105.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 6.1 t30 -138.36 38.43 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 13.2 m-70 179.99 -67.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.601 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 10.4 m-85 -53.58 102.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 15.3 m-20 -82.86 65.8 8.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.8 p -48.39 97.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 101' ' ' GLU . 12.2 m-85 -81.53 -174.48 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.605 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -166.82 125.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 112' ' ' ILE . 11.2 t -35.44 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 112' ' ' ILE . 25.7 tttm -56.71 -18.6 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -90.61 -2.22 57.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.772 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 11.8 m-70 -152.94 39.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.605 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.2 -16.36 62.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.74 -25.39 53.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.3 -2.88 32.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 66.67 25.14 9.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.772 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 22.8 m0 -62.94 82.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.037 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 144' ' ' ILE . 15.7 m-85 -60.73 -171.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 3.8 p -128.42 19.68 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.468 ' C ' ' HB2' ' A' ' 143' ' ' ALA . . . -85.98 113.44 3.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.626 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -68.26 120.79 14.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.627 ' O ' ' N ' ' A' ' 128' ' ' ASN . 1.5 tttt -20.89 114.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.26 61.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.6 t-20 -150.56 -41.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.63 69.1 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.72 135.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 132' ' ' LYS . 42.1 t -52.49 157.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.442 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 0.8 OUTLIER -126.31 159.14 33.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.472 ' CB ' ' HD2' ' A' ' 135' ' ' PRO . 0.3 OUTLIER -92.8 154.17 18.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -44.24 -50.51 7.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.3 Cg_endo -75.01 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 170.4 39.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 2.7 p -140.27 104.58 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.425 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.603 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -145.64 -177.02 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.605 ' CD2' ' O63' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -56.11 -158.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 42.62 22.0 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.678 ' O ' ' N ' ' A' ' 143' ' ' ALA . 1.7 mp0 -128.01 83.06 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 110.238 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.527 ' CD ' ' HB3' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -35.39 -24.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.678 ' N ' ' O ' ' A' ' 141' ' ' GLN . . . -50.93 -40.83 58.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.63 HD11 ' CE2' ' A' ' 122' ' ' PHE . 19.9 pt -68.13 -33.19 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 108' ' ' TYR . 4.7 mp -65.98 111.83 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.581 ' CZ ' HD13 ' A' ' 37' ' ' LEU . 17.6 m-85 -124.44 126.03 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 107' ' ' HIS . 2.3 tm? -117.22 105.27 49.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 137.38 21.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 149' ' ' LEU . 3.0 pp -123.14 79.04 52.02 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.504 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.1 Cg_endo -75.07 -178.6 4.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -177.22 38.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.4 t -60.7 84.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.0 t -152.31 81.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.934 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.605 ' O63' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' CB ' ' OE1' ' A' ' 57' ' ' GLN . 1.3 mttt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HB2' ' CG2' ' A' ' 151' ' ' VAL . 18.5 Cg_endo -74.93 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.42 1.747 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CE ' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -173.99 132.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CE ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -167.27 157.52 11.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.14 151.14 22.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.596 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 90.0 t80 -132.37 127.3 35.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.13 148.44 26.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 108.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 1.6 t -45.09 -94.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.491 ' ND2' ' N ' ' A' ' 33' ' ' GLY . 1.4 t30 -74.73 164.16 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.491 ' N ' ' ND2' ' A' ' 32' ' ' ASN . . . 81.98 -48.59 3.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.617 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 85.88 16.32 63.6 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' HA ' ' O ' ' A' ' 48' ' ' THR . 56.1 m80 -63.58 136.87 57.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.602 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 34' ' ' GLY . 51.4 m-85 -109.77 97.67 7.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.551 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 1.0 OUTLIER -37.44 133.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NH2' ' CG2' ' A' ' 48' ' ' THR . 3.8 ptp180 -131.7 169.21 16.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.462 HG22 ' CB ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -140.28 116.78 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' CG2' ' A' ' 44' ' ' THR . 0.9 OUTLIER -85.22 141.51 37.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.574 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.97 10.85 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.819 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.56 -28.62 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.57 17.68 4.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.466 ' CG2' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.05 128.33 51.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.392 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.543 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -106.99 166.72 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.543 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 169.85 -172.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' HD21 ' A' ' 125' ' ' LEU . . . -128.1 151.12 18.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.512 ' CG2' ' NH2' ' A' ' 38' ' ' ARG . 27.7 m -125.95 122.85 37.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' THR . 2.2 ttt-85 -35.92 -34.29 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.591 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -152.37 116.29 4.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.555 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -24.68 94.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.1 p -125.69 40.2 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.489 ' CB ' HG23 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -143.56 144.4 31.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.506 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 0.6 OUTLIER -63.02 -10.22 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -143.67 92.95 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.61 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.489 HG23 ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -129.85 6.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.43 ' OE1' ' CB ' ' A' ' 24' ' ' LYS . 50.7 mt-30 -75.15 154.67 37.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -145.62 171.74 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' ' 71' ' ' LYS . 1.7 tp60 -164.66 138.39 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.544 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -101.56 160.83 14.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.36 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.4 t -146.93 50.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.48 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -38.72 124.9 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.56 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -114.5 -1.95 13.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.79 178.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.437 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -81.28 150.57 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 100' ' ' LEU . . . 57.99 21.43 45.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 65' ' ' VAL . 1.2 pm0 -175.2 121.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.48 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 19.8 m -139.9 165.51 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.645 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 16.0 m-85 -103.09 176.28 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.518 ' CG1' ' O ' ' A' ' 69' ' ' TYR . 10.4 mt -157.88 127.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -136.63 125.15 23.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' GLU . 47.8 t -80.12 72.35 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 73' ' ' THR . 12.9 t -37.37 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 72' ' ' SER . 0.9 OUTLIER 173.05 -51.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 76' ' ' GLY . 70.5 p -97.83 -110.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.424 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -172.2 58.16 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.99 154.55 24.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 0.739 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.578 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 5.2 m-85 -113.5 134.72 54.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 7.2 tp -46.89 146.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -165.5 176.15 8.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.26 113.75 8.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -72.0 178.57 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.422 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 4.1 m -61.1 -13.71 19.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.75 12.87 11.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.468 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 46.57 27.16 2.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -107.55 110.15 21.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.747 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 81' ' ' MET . 3.0 mp -39.72 136.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 2.0 p90 -163.19 146.93 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -79.81 142.01 24.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.34 122.6 22.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -0.08 19.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.098 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' A' ' 92' ' ' THR . 9.2 p -115.06 94.84 40.08 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.478 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.0 105.43 2.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.768 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.478 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.1 m-80 -161.11 -153.68 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.98 67.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.478 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 20.8 tt0 -175.08 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.476 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 1.7 t -65.17 -26.53 68.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 108.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.645 ' CD2' ' CZ ' ' A' ' 69' ' ' TYR . 1.9 mm? -51.71 163.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.437 ' O ' HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -144.35 104.82 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -53.21 96.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.421 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -89.48 163.05 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.516 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER 179.68 93.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.5 OUTLIER -31.04 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 102' ' ' ARG . 4.0 tm-20 -63.52 -58.2 7.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -101.34 -113.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.599 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 28.5 t30 -142.1 43.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 26.2 m-70 -175.0 -69.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.615 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 8.1 m-85 -47.2 176.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.627 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 16.3 m120 -143.73 61.25 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.485 ' CG2' HG13 ' A' ' 144' ' ' ILE . 40.7 p -48.91 129.5 17.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.627 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 2.8 m-85 -112.13 179.41 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.559 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 11.1 mt -154.82 136.21 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.574 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 9.0 t -44.14 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.434 ' HD2' ' CB ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -68.8 -9.15 49.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.478 ' HG3' ' CB ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -83.83 -13.71 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.574 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -174.55 62.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.74 -4.57 32.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.85 -10.46 20.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.517 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.1 OUTLIER -115.39 5.35 14.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.447 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.3 OUTLIER 55.97 39.1 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.6 m0 -71.04 92.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 107.988 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.57 ' CD2' HD11 ' A' ' 144' ' ' ILE . 12.6 m-85 -75.52 178.09 6.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 123' ' ' VAL . 14.1 p -118.89 95.7 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -145.54 174.4 25.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -135.29 118.05 16.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 128' ' ' ASN . 2.9 tttt -33.65 128.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.09 58.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.0 OUTLIER -149.14 -44.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 138.78 66.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.84 128.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 109.989 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.06 -177.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 108.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.94 173.75 6.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' GLY . 2.6 ttt180 -109.92 152.25 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.59 -58.18 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.499 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.98 51.9 2.91 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.46 38.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -127.05 63.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.406 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.514 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -132.74 131.12 40.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.601 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.625 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 9.0 p90 -57.22 -174.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 154.63 -25.9 0.66 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.527 ' HB2' ' C10' ' A' ' 178' ' ' NTS . 1.6 mp0 -126.48 -81.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.468 ' CA ' ' HG ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 172.43 40.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.475 ' HB3' ' C4 ' ' A' ' 178' ' ' NTS . . . -96.04 5.41 51.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.625 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 2.2 pt -116.72 -24.25 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.615 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 1.7 mt -49.81 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.551 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 1.4 m-85 -91.94 119.53 31.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.528 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -106.7 108.83 62.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.7 24.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.585 1.834 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 29' ' ' TYR . 1.4 pp -134.11 62.92 59.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 149' ' ' LEU . 18.3 Cg_endo -75.03 167.2 27.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -169.74 41.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.4 t -61.5 83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 151' ' ' VAL . 33.8 t -128.03 58.41 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.527 ' C10' ' HB2' ' A' ' 141' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.02 94.02 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -103.22 145.61 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.534 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -139.04 107.04 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -88.09 129.35 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.527 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 58.3 t80 -121.59 130.28 53.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -75.93 135.81 40.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.293 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -37.21 -87.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.451 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -85.13 -53.94 4.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -35.35 -39.62 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.527 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 69.61 4.72 47.37 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.414 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 71.0 m80 -74.73 152.24 39.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.567 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 15.2 m-85 -119.04 105.21 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.506 HD13 ' CE2' ' A' ' 146' ' ' PHE . 5.9 mt -41.95 145.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -139.56 -176.68 4.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.483 HG22 ' CB ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -165.95 139.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 44' ' ' THR . 0.5 OUTLIER -108.47 141.38 23.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' OE1' ' A' ' 54' ' ' GLN . 18.3 Cg_endo -75.02 5.19 4.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.08 -48.57 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.96 44.8 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.153 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.501 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER -144.71 168.52 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.434 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.501 ' N ' ' CG2' ' A' ' 44' ' ' THR . 1.4 t -146.91 164.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.456 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -176.58 -162.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.63 131.34 6.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.444 ' N ' ' HD2' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -91.06 145.01 25.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.12 -19.0 24.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.6 m-20 -150.82 91.85 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.601 ' CD ' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -30.88 94.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.0 t 178.66 66.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -133.51 -176.16 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.545 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -40.24 -49.09 2.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.545 ' N ' HE21 ' A' ' 54' ' ' GLN . 5.4 m-70 -177.15 101.08 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.647 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -102.58 4.14 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.423 ' N ' HD12 ' A' ' 56' ' ' ILE . 3.9 mp0 -52.8 163.25 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 37' ' ' LEU . 21.5 mt -157.15 175.7 13.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -171.53 120.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.516 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -87.13 162.72 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' ALA . 24.9 t -147.62 57.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.501 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -38.56 125.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -119.79 2.31 11.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER 162.86 125.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -41.77 140.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.453 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 77.38 5.9 86.03 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' ' 64' ' ' SER . 1.3 tt0 -169.46 105.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.501 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 29.9 m -121.82 171.17 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 4.9 m-85 -114.68 169.01 9.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.8 mt -146.24 126.18 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -132.8 101.09 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.483 ' CB ' HG22 ' A' ' 39' ' ' ILE . 15.0 t -56.35 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 73' ' ' THR . 4.5 t -58.01 107.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.507 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 23.9 tp10 168.67 -41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 76' ' ' GLY . 1.8 t -149.47 47.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.13 75.48 0.07 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.5 OUTLIER -134.51 134.31 41.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.281 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.519 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 34.1 m-85 -109.74 118.43 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.8 tp -68.09 127.82 34.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -150.08 -176.87 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.4 ' CE ' ' O ' ' A' ' 85' ' ' GLY . 0.3 OUTLIER -137.66 119.53 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.603 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 69.2 m-20 -77.26 174.9 10.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.423 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 7.4 m -63.57 -12.34 32.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.75 -3.27 46.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.471 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 70.21 5.97 55.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -102.25 111.37 23.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -39.67 138.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.603 ' CE2' ' OD1' ' A' ' 82' ' ' ASP . 1.5 p90 -152.12 176.6 11.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.595 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -92.38 149.06 19.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.92 112.16 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -5.77 29.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -115.32 98.83 51.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.02 102.9 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.1 m-80 -161.91 -148.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -67.67 63.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 21.9 tt0 -170.6 -44.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 4.2 t -78.73 -35.46 44.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.557 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -48.56 173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -153.71 104.72 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -51.14 97.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 7.6 tt0 -88.75 143.94 26.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -165.01 86.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.8 OUTLIER -28.35 97.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.0 tm-20 -58.23 -51.27 70.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.483 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.3 tt0 -101.18 -104.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.593 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 1.3 t-20 -149.99 34.51 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 18.4 m170 -168.58 -63.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.582 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.582 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 13.1 m-85 -60.06 160.27 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.614 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 14.1 m-20 -128.16 84.17 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.516 ' CG2' HD21 ' A' ' 145' ' ' LEU . 76.2 p -70.29 104.38 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 10.0 m-85 -84.98 178.41 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -152.7 148.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.465 ' OG ' ' ND1' ' A' ' 116' ' ' HIS . 46.2 t -56.91 86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' ILE . 1.3 tmtm? -52.03 -24.26 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.63 ' CE ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.18 -38.8 92.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.63 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -152.92 65.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.572 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.474 ' HB3' ' CG2' ' A' ' 112' ' ' ILE . . . -73.85 -3.99 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -60.21 -14.6 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 1.4 tttt -112.67 4.8 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.37 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER 61.4 20.73 11.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 35.7 m0 -54.32 92.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 108.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.595 ' CD1' HD11 ' A' ' 144' ' ' ILE . 9.1 m-85 -71.95 -172.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.586 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 7.6 p -119.59 25.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.413 ' CA ' HG23 ' A' ' 144' ' ' ILE . . . -65.17 -158.53 0.38 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -170.27 108.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.563 ' O ' ' N ' ' A' ' 128' ' ' ASN . 32.7 tttt -28.78 128.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.5 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.61 60.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 126' ' ' LYS . 19.7 m120 -147.84 -43.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 133.94 70.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 170.25 142.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.777 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.96 169.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.435 ' NZ ' ' O63' ' A' ' 178' ' ' NTS . 5.1 mttt -103.72 153.94 20.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -88.57 145.91 25.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.616 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.11 -62.3 0.73 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.0 Cg_endo -75.01 52.29 3.02 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.24 39.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -126.82 51.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.493 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 0.7 OUTLIER -120.54 135.42 55.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.56 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.635 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 9.3 p90 -58.03 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.513 ' N ' ' CD2' ' A' ' 139' ' ' TYR . . . 144.66 -14.79 2.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.529 ' HB3' ' C4 ' ' A' ' 178' ' ' NTS . 1.8 mp0 -134.46 -89.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.42 ' CA ' ' HG ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 177.74 39.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.513 ' HB3' ' C4 ' ' A' ' 178' ' ' NTS . . . -97.62 7.32 46.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.635 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 3.3 pt -118.43 -23.42 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.582 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -59.36 93.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.506 ' CE2' HD13 ' A' ' 37' ' ' LEU . 4.0 m-85 -89.81 125.46 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.6 104.48 48.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.35 6.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.89 67.07 73.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 18.2 Cg_endo -75.0 178.63 7.01 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 5.1 m -151.54 49.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 24.5 t -78.01 82.57 4.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 33.3 t -107.75 77.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.529 ' C4 ' ' HB3' ' A' ' 141' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.49 ' O ' ' CG2' ' A' ' 151' ' ' VAL . 18.6 Cg_endo -74.93 -66.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HG3' ' CA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -96.64 148.64 22.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -150.0 102.26 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD23 ' CG ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -55.12 170.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.649 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 4.2 t80 -172.8 148.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.628 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 14.4 m -72.82 160.25 32.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.596 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 34.3 p -71.58 -95.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.7 ' O ' ' N ' ' A' ' 34' ' ' GLY . 14.4 t30 -49.33 90.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 18.68 45.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.7 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -77.3 -153.25 5.57 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.586 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 1.2 m80 -99.03 178.21 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 0.804 . . . . 0.0 109.632 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.649 ' CD2' ' HB2' ' A' ' 29' ' ' TYR . 38.9 m-85 -119.14 99.12 6.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.699 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 4.5 mt -34.29 142.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.514 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 2.7 ptp180 -141.99 148.06 37.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -126.46 115.81 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD2' ' OD2' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -86.26 141.87 35.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 9.19 2.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -93.41 -27.94 16.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.84 14.99 5.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.452 ' CB ' HD11 ' A' ' 40' ' ' LEU . 1.1 m -120.44 133.01 55.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -111.27 166.43 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.54 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 175.8 -172.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.6 140.76 12.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 3.5 m -115.4 126.5 54.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -38.81 -39.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.564 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 54.2 m-20 -143.51 120.0 11.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.599 ' HD3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -35.23 119.71 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.4 t 179.49 70.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.514 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 8.1 t0 -144.93 -176.17 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.623 ' NE2' ' H ' ' A' ' 55' ' ' HIS . 2.6 pm0 -56.86 -37.49 71.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.623 ' H ' ' NE2' ' A' ' 54' ' ' GLN . 2.6 m-70 -179.5 109.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.404 ' O ' HG12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -105.55 17.69 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -46.42 146.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -151.82 166.78 30.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -179.77 143.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' CD1' ' OH ' ' A' ' 111' ' ' TYR . 1.2 mt -100.93 161.59 13.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.8 t -146.1 53.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.043 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.98 125.99 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.2 OUTLIER -118.32 -0.25 11.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.97 129.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -40.68 138.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.59 -7.31 58.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 3.1 tt0 -153.05 104.24 2.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.466 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 35.2 m -125.94 162.9 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.477 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 12.2 m-85 -111.32 167.3 10.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.417 ' CD1' ' CD2' ' A' ' 99' ' ' PHE . 89.4 mt -144.41 128.93 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.3 OUTLIER -135.33 134.3 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.522 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 31.3 t -87.63 71.49 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 73' ' ' THR . 14.8 t -40.57 95.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' SER . 26.8 tp10 176.77 -48.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' GLY . 7.4 t -142.33 45.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.372 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.97 52.67 1.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.31 115.55 29.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 60.7 m-85 -95.96 146.96 24.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -89.31 144.86 25.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 97' ' ' CYS . . . -167.2 173.85 8.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.441 ' HG3' ' CD1' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.08 117.45 10.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.594 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 37.1 m-20 -76.59 171.69 14.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.412 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 2.5 m -57.04 -16.52 7.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.6 8.03 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.48 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 53.35 19.19 8.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -98.18 104.11 16.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.508 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 5.0 mp -38.57 134.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.594 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.4 p90 -162.62 165.07 26.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -119.41 164.46 13.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.64 155.32 29.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.746 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.16 3.43 17.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.238 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.8 p -116.11 90.21 27.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.456 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.0 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.456 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 2.1 m-80 -146.58 -172.27 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -37.98 -31.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.251 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 94' ' ' ASN . 25.1 tt0 -68.93 -61.08 1.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.489 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 8.9 t -56.46 -30.8 63.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.477 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 1.4 mt -56.84 172.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.529 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.36 113.32 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -54.86 100.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 109' ' ' ASN . 4.0 tt0 -62.5 166.46 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 104' ' ' GLU . 3.8 mtm180 179.49 91.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.48 83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -39.72 -47.65 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.509 ' HG2' ' CE1' ' A' ' 107' ' ' HIS . 0.8 OUTLIER -130.31 -100.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.588 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 3.0 t-20 -143.3 38.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.588 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -175.45 -65.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.631 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 31' ' ' SER . 6.2 m-85 -59.39 116.75 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.649 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 1.1 m120 -97.1 77.59 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.48 ' CG2' HG13 ' A' ' 144' ' ' ILE . 82.2 p -67.15 96.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.45 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 22.0 m-85 -79.13 -178.5 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.963 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.603 ' CD1' ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -160.95 132.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.563 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 6.1 t -37.45 105.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.495 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 3.0 tmtm? -70.7 -24.14 62.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.512 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -72.43 -8.75 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.563 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.85 67.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.493 ' CB ' HG21 ' A' ' 112' ' ' ILE . . . -77.82 -16.78 58.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.37 -15.95 12.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.2 OUTLIER -100.7 -3.01 31.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.2 OUTLIER 63.35 33.49 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.584 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 40.2 m0 -71.77 88.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.603 ' CE1' ' CD1' ' A' ' 112' ' ' ILE . 23.9 m-85 -69.51 -178.98 1.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.529 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 7.4 p -116.99 13.84 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.419 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -89.56 104.43 3.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.591 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -59.79 116.99 4.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 0.791 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.97 125.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.455 ' HD3' ' C ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.3 59.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -134.58 -46.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.586 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.71 58.21 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 131' ' ' CYS . 2.1 m 169.15 125.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' SER . 6.7 t -43.31 163.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.279 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.474 ' HE2' ' CD ' ' A' ' 126' ' ' LYS . 8.5 mptt -134.22 141.93 47.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -65.48 161.71 19.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -37.53 -59.12 1.32 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.22 3.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.421 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -172.96 32.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 2.5 p -144.46 102.32 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.392 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.564 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -149.85 174.75 12.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.514 ' CD2' ' O61' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -53.08 -167.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.541 ' O ' ' C4 ' ' A' ' 178' ' ' NTS . . . 74.63 -11.98 6.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.43 ' H ' ' C ' ' A' ' 139' ' ' TYR . 16.0 mp0 -119.89 125.11 47.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.612 ' HG2' ' C4 ' ' A' ' 178' ' ' NTS . 2.5 mmtt -70.6 1.68 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 141' ' ' GLN . . . -63.54 -34.86 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.579 HG23 ' CD2' ' A' ' 122' ' ' PHE . 4.3 pt -69.52 -33.26 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.499 ' HB3' ' CG ' ' A' ' 108' ' ' TYR . 12.1 mt -68.77 114.68 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.699 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 5.4 m-85 -119.6 126.87 52.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.87 98.83 51.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.81 22.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.48 82.15 66.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.501 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.6 Cg_endo -74.93 172.9 15.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -173.11 35.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.0 t -39.13 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.5 t -173.63 68.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.046 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.612 ' C4 ' ' HG2' ' A' ' 142' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 9.4 mttt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.03 142.1 27.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -149.95 139.17 21.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.15 104.61 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.9 OUTLIER -75.5 177.5 6.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.853 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 11.4 t80 -171.46 157.25 4.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.577 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 92.0 m -79.95 126.93 31.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.617 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 9.2 t -29.74 -96.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.654 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.7 t-20 -52.16 -175.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.79 52.01 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -83.36 -139.58 3.75 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.616 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 2.2 m80 -120.82 179.64 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.577 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.853 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 12.3 m-85 -122.7 104.16 9.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.555 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -38.46 147.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.509 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 5.5 ptp180 -144.68 129.97 18.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.483 HD12 ' CD2' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -106.82 110.84 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.95 142.34 34.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 7.58 2.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.46 -30.57 15.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.01 23.75 4.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.472 ' CB ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.8 137.65 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.376 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.446 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 2.1 t -113.15 167.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.446 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.48 -171.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.6 138.83 9.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.447 ' C ' ' HB3' ' A' ' 35' ' ' HIS . 6.5 m -111.0 124.83 52.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.524 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -36.33 -54.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -133.55 106.75 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.647 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -24.02 131.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' A' ' 52' ' ' SER . 3.5 p 179.76 48.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.927 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.509 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.1 t0 -121.57 -172.96 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 55' ' ' HIS . 3.0 pm0 -77.22 -30.34 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.435 ' N ' ' CD ' ' A' ' 54' ' ' GLN . 9.9 m-70 -169.4 103.54 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.608 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -115.41 1.27 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.9 mt-30 -50.56 154.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 56' ' ' ILE . 1.5 mp -144.86 179.95 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.43 ' N ' ' HZ2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -168.32 142.86 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.83 160.42 16.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.9 t -142.74 52.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.507 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.23 127.89 2.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.2 OUTLIER -119.44 -0.88 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 159.72 127.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' SER . 4.3 m -38.75 144.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 74.29 6.24 74.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 3.3 tt0 -169.61 106.07 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.507 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 19.5 m -128.22 166.74 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.58 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 10.3 m-85 -112.64 167.49 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 63.1 mt -146.91 130.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -143.06 93.33 2.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 t -60.42 82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -49.01 106.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.419 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 172.09 -33.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 t -152.56 37.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 37.67 61.24 1.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.13 124.89 45.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.546 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 31.8 m-85 -100.11 121.99 42.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.483 ' CD2' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -62.24 135.07 57.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -153.34 179.2 8.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.439 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -146.35 113.23 6.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 85' ' ' GLY . 69.3 m-20 -71.78 175.63 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.463 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 20.7 m -54.3 -19.91 6.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.2 13.5 15.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 46.3 24.19 1.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -93.22 106.65 18.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LEU . 9.1 mp -39.03 118.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 3.8 p90 -140.95 166.62 24.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.3 155.13 16.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.73 143.56 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.21 5.3 17.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -116.23 92.0 34.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' GLU . 3.0 m-80 -141.71 -174.12 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -38.06 -30.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' ASN . 28.8 tt0 -70.91 -54.18 12.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 94' ' ' ASN . 6.0 t -56.75 -45.76 81.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.58 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 1.6 mt -46.16 170.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.64 100.95 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.998 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.441 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -43.15 96.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' GLY . 6.5 tm-20 -110.83 149.03 31.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.85 -91.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.62 124.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.476 ' C ' ' CD ' ' A' ' 104' ' ' GLU . 0.5 OUTLIER -102.91 -47.27 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -130.43 -139.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 3.0 t-20 -121.28 50.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.5 m170 179.65 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.617 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 5.3 m-85 -76.85 158.67 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.662 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 12.4 m120 -134.02 58.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.492 ' CG2' ' HG ' ' A' ' 145' ' ' LEU . 29.4 p -37.6 150.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.347 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.662 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -134.25 177.03 8.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.178 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.586 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -156.95 125.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.61 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 23.0 t -36.0 107.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.483 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 4.1 tmtm? -68.36 -25.33 65.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.507 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -68.55 -8.99 46.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.61 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -178.8 68.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.602 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -83.92 6.35 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.66 -16.65 61.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.603 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -105.22 -2.97 23.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.53 20.16 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.607 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 44.7 m0 -54.08 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 9.8 m-85 -79.06 175.48 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.599 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 9.9 p -106.48 26.04 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.493 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -100.54 103.32 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.584 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -59.72 113.79 2.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 128' ' ' ASN . 17.0 tttt -24.6 116.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 63.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.638 ' N ' ' O ' ' A' ' 126' ' ' LYS . 8.7 t-20 -134.5 -44.68 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.616 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 122.47 64.92 0.22 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.454 ' OG ' ' NZ ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 169.14 124.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.761 . . . . 0.0 110.063 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 5.7 t -49.94 145.62 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.486 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -122.59 169.49 10.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.95 -178.65 3.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -45.08 -63.15 2.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 54.26 3.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.486 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.2 OUTLIER 179.21 36.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.429 HG21 ' O ' ' A' ' 134' ' ' GLY . 1.7 t -158.83 100.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 139' ' ' TYR . 6.3 m80 -146.72 -171.66 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.611 ' CD1' ' CD1' ' A' ' 144' ' ' ILE . 0.0 OUTLIER -57.55 -155.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.452 ' N ' ' O61' ' A' ' 178' ' ' NTS . . . 54.88 11.8 3.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.451 ' C ' ' N ' ' A' ' 143' ' ' ALA . 4.1 mt-30 -140.51 107.67 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.555 ' HG2' ' C10' ' A' ' 178' ' ' NTS . 9.6 mmtt -50.76 -15.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -48.98 -37.38 20.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.611 ' CD1' ' CD1' ' A' ' 139' ' ' TYR . 13.0 pt -65.73 -36.83 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 108' ' ' TYR . 6.2 mp -74.94 112.19 10.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.555 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 4.7 m-85 -111.18 123.99 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.459 ' O ' ' CD2' ' A' ' 149' ' ' LEU . 1.0 OUTLIER -109.84 100.92 45.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.85 20.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -130.47 68.89 81.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.482 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.04 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 12.0 m -159.26 27.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 12.4 t -46.98 110.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 58.4 m -153.53 66.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.582 ' O63' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 83.12 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HZ2' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER 172.02 126.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 2.3 pp -163.66 152.29 13.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.59 146.63 26.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 30.1 t80 -135.5 147.3 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.543 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -90.06 151.4 21.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.518 ' OG ' ' CG ' ' A' ' 142' ' ' LYS . 77.3 p -65.12 -97.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.485 ' HB2' ' CG ' ' A' ' 142' ' ' LYS . 1.8 t30 -65.13 -52.84 52.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' ND1' ' A' ' 35' ' ' HIS . . . -35.85 -39.28 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 67.11 7.7 45.69 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 3.8 m80 -89.09 164.12 15.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 109.594 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 77.1 m-85 -125.9 101.53 6.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 4.8 mt -37.01 154.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.498 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 7.4 ptp180 -153.19 146.61 24.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.479 HD12 ' CD2' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -123.05 119.3 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 HD11 ' CG2' ' A' ' 44' ' ' THR . 0.9 OUTLIER -87.05 141.72 33.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.02 7.79 2.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -90.48 -30.15 17.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.22 13.95 5.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.457 ' CG2' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -114.31 163.37 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.428 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.444 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 1.7 t -130.49 165.42 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.525 ' C ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER 176.37 178.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.467 ' CA ' HD23 ' A' ' 125' ' ' LEU . . . -126.1 156.59 19.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 21.7 m -131.83 123.96 28.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -46.32 -24.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 48' ' ' THR . 1.6 m-20 -152.8 126.77 9.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.575 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -47.54 122.26 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.414 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.3 t 179.77 70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.3 t0 -150.49 168.7 23.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.26 -52.94 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.518 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 15.1 m-70 -159.31 99.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.5 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -103.69 26.91 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.437 ' NE2' ' OE1' ' A' ' 74' ' ' GLU . 1.3 mp0 -85.41 132.17 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.701 ' N ' ' HZ2' ' A' ' 26' ' ' LYS . 5.1 mp -137.04 116.44 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -104.65 160.87 14.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.428 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -111.08 158.44 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 11.7 t -143.03 51.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.82 123.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -114.3 -0.53 13.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 170.82 178.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.975 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -82.26 150.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 58.72 20.88 49.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' HB2' ' CD2' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -176.58 122.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.307 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.469 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 16.7 m -139.76 173.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.579 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 19.5 m-85 -118.3 165.74 13.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 95.5 mt -143.77 129.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HG2' ' CG ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -137.77 114.16 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 74' ' ' GLU . 11.1 t -65.96 88.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 73' ' ' THR . 15.0 t -50.83 90.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.518 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 171.01 -60.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.4 p -79.88 -117.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.67 57.79 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.461 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -159.93 171.98 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 0.805 . . . . 0.0 110.24 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 71' ' ' LYS . 6.0 m-85 -127.93 144.88 51.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' CD2' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.13 146.74 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.489 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -163.15 166.05 23.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -140.49 95.48 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.466 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 62.5 m-20 -49.86 174.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.539 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 24.1 m -63.82 -11.48 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.1 -6.26 59.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.57 ' HA3' ' CE3' ' A' ' 121' ' ' TRP . . . 68.51 22.15 74.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.2 tt -101.29 105.92 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 81' ' ' MET . 10.8 mp -41.61 123.96 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 3.1 p90 -150.29 158.28 43.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -90.86 146.37 18.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.19 126.57 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.88 4.24 17.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.461 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 10.1 p -114.38 94.41 35.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.453 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -74.95 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.534 1.807 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.461 ' ND2' ' C ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -154.57 -156.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 66.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' ASN . 48.5 tt0 -176.06 -51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 78' ' ' TYR . 4.8 t -67.77 -39.16 84.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 108.262 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.579 ' HG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -47.34 172.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.47 118.1 5.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.531 ' CD1' ' CB ' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -61.5 101.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 1.2 tm-20 -112.73 150.86 30.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.41 -90.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 104' ' ' GLU . 0.2 OUTLIER 178.6 120.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 105' ' ' GLU . 4.0 tm-20 -97.53 -41.46 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.7 tt0 -130.07 -104.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.572 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.1 t-20 -158.94 50.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 14.2 m-70 179.84 -62.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.476 ' CE1' ' HB2' ' A' ' 147' ' ' LEU . 29.7 m-85 -54.1 -167.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.42 ' ND2' ' OE2' ' A' ' 101' ' ' GLU . 25.6 m120 -158.65 54.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.498 ' CG2' HG13 ' A' ' 144' ' ' ILE . 65.8 p -47.2 100.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.561 ' CD2' ' HG3' ' A' ' 101' ' ' GLU . 8.9 m-85 -80.81 -173.0 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.585 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 5.0 mt -159.38 114.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 112' ' ' ILE . 2.6 p -34.18 98.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' ILE . 13.7 tttm -56.13 -17.41 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -11.83 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.685 ' ND1' ' CZ3' ' A' ' 121' ' ' TRP . 0.9 OUTLIER -145.11 37.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.531 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -71.46 -19.53 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.49 -27.54 67.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -103.83 1.02 31.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 59.5 33.88 22.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.685 ' CZ3' ' ND1' ' A' ' 116' ' ' HIS . 28.7 m0 -67.42 73.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 107.965 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.585 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 14.0 m-85 -50.27 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.584 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 11.3 p -126.67 96.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.403 ' HA3' ' C ' ' A' ' 143' ' ' ALA . . . -161.94 126.78 1.62 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.579 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -75.12 120.76 21.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.44 123.47 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.1 60.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 126' ' ' LYS . 10.0 m120 -156.61 -43.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.554 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 138.94 70.83 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.38 139.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 51.6 t -86.93 156.23 19.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -109.72 158.01 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.37 117.51 12.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.559 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 93.91 -142.43 16.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.411 ' HA ' ' NE1' ' A' ' 121' ' ' TRP . 18.2 Cg_endo -75.0 69.69 5.49 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.474 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 1.2 mpt_? -158.34 25.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 122' ' ' PHE . 2.6 t -141.75 77.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 139' ' ' TYR . 17.6 m80 -125.18 -179.28 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.598 ' CD2' ' O62' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -54.01 -164.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 111.055 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.406 ' C ' ' H5 ' ' A' ' 178' ' ' NTS . . . 61.7 9.68 20.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.493 ' C ' ' N ' ' A' ' 143' ' ' ALA . 38.4 mt-30 -133.95 102.74 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.531 ' HD2' ' C10' ' A' ' 178' ' ' NTS . 0.4 OUTLIER -49.71 -14.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.493 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -50.45 -31.23 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.498 HG13 ' CG2' ' A' ' 110' ' ' THR . 4.3 pt -77.52 -29.69 16.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 142' ' ' LYS . 7.9 mp -67.78 101.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 8.0 m-85 -111.69 119.59 39.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.476 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 0.6 OUTLIER -106.42 102.32 40.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.2 Cg_endo -75.0 132.25 15.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.428 ' O ' ' CD1' ' A' ' 149' ' ' LEU . 2.9 pp -125.24 74.07 67.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.502 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.98 169.13 23.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -176.01 41.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 13.6 t -61.3 81.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 151' ' ' VAL . 41.5 t -119.93 69.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.598 ' O62' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -56.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.68 145.97 8.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' A' ' 149' ' ' LEU . 0.9 OUTLIER -148.42 122.14 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 1.1 mt -70.17 154.44 41.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.59 1.181 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB2' ' CD2' ' A' ' 149' ' ' LEU . 20.7 t80 -142.83 124.73 15.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 142.75 51.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.585 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 28.2 t -58.27 -93.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.477 ' HB2' ' CD ' ' A' ' 142' ' ' LYS . 2.3 t30 -69.89 -52.38 25.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -35.89 -40.45 0.35 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.93 9.88 54.44 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 5.1 m80 -89.63 162.29 15.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 87.6 m-85 -127.7 105.37 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.29 141.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.522 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 2.5 ptp180 -139.96 147.26 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.02 149.76 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -109.32 145.65 32.29 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 2.69 6.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.57 -48.13 7.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.38 46.86 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.4 m -142.65 168.64 19.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 44' ' ' THR . 1.6 t -146.4 166.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 178.66 -170.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.469 ' HA3' ' CD2' ' A' ' 125' ' ' LEU . . . -129.89 160.24 22.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.505 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 24.9 m -140.64 122.66 15.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -51.51 -20.72 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -151.43 127.56 10.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 2.3 ptt180 -55.7 111.6 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 t 179.96 69.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.522 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.7 t0 -137.7 -173.14 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.709 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 3.3 mp0 -52.74 -45.16 66.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CE1' ' OE1' ' A' ' 74' ' ' GLU . 1.8 m-70 -175.82 96.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.626 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -99.19 11.18 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -57.35 134.89 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.97 175.87 8.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -178.75 131.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.516 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -90.94 160.82 15.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ALA . 9.1 t -145.16 55.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.22 125.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -117.25 -0.77 11.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 160.33 131.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.2 137.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 80.68 -7.5 58.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.509 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 3.9 tt0 -150.69 104.33 3.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 m -124.36 165.32 21.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 9.1 m-85 -116.82 167.62 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 98.2 mt -143.91 126.72 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.608 ' HZ3' ' N ' ' A' ' 72' ' ' SER . 0.7 OUTLIER -130.25 123.49 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.608 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 17.4 t -70.96 64.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 73' ' ' THR . 7.6 t -34.56 101.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.575 ' OE1' ' CE1' ' A' ' 55' ' ' HIS . 6.2 tp10 174.22 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -48.43 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.73 60.08 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -119.19 122.18 41.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 60.8 m-85 -100.09 112.29 24.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -46.82 157.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.535 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -178.44 170.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.421 ' CE ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -137.76 124.15 20.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -79.19 176.25 9.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.521 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 21.0 m -58.17 -16.13 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.98 11.04 21.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.406 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 50.35 30.15 17.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 tt -104.88 112.05 25.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.462 HD22 ' CG2' ' A' ' 123' ' ' VAL . 9.5 mp -42.14 128.52 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 2.3 p90 -152.06 149.91 29.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.23 144.38 16.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.81 160.28 41.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.045 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.86 38.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 68.0 p -145.96 92.9 5.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 89.07 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -128.16 -175.85 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.19 -34.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' OE2' ' OH ' ' A' ' 88' ' ' TYR . 18.1 tt0 -65.8 -61.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.0 m -49.43 -34.72 17.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.529 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -55.89 171.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.495 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.92 101.18 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -49.59 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.08 145.16 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.422 ' NH2' ' CZ ' ' A' ' 122' ' ' PHE . 71.5 mtm180 -135.73 -100.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.53 122.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.478 ' HG2' ' CD1' ' A' ' 145' ' ' LEU . 3.7 tp10 -100.54 -46.68 5.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.448 ' CG ' ' HG3' ' A' ' 104' ' ' GLU . 1.9 mt-10 -121.43 -117.04 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.567 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 19.0 t30 -153.43 52.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 15.2 m170 -170.78 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 6.5 m-85 -70.61 -158.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.617 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 10.8 m120 -164.21 57.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 p -39.56 153.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -135.42 179.65 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.579 ' CD1' ' CE1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -154.91 133.14 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.531 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 6.5 t -40.2 100.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.509 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 3.5 tmtm? -64.81 -24.61 67.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.559 ' HE3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -67.64 -26.91 66.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.559 ' CD2' ' HE3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -160.3 66.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.647 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.487 ' CB ' HG22 ' A' ' 112' ' ' ILE . . . -75.98 -1.23 24.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.59 -4.16 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -119.49 2.4 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 112' ' ' ILE . 0.7 OUTLIER 57.13 37.0 28.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 38.5 m0 -69.93 77.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.579 ' CE1' ' CD1' ' A' ' 112' ' ' ILE . 11.5 m-85 -61.19 179.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.495 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 8.3 p -120.03 100.17 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 144' ' ' ILE . . . -161.0 138.52 5.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.591 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -95.56 115.02 26.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 125' ' ' LEU . 6.2 tttt -24.6 125.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -64.76 60.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -155.58 -41.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.27 74.14 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 t 169.5 132.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 110.025 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.24 168.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -112.64 174.86 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.158 . . . . 0.0 109.249 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 134' ' ' GLY . 1.7 mmm180 -118.99 153.88 33.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -35.23 -64.03 0.51 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.98 51.67 2.84 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 168.63 41.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.511 ' HG1' ' N ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -136.51 67.04 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.368 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' GLY . 5.8 m80 -125.96 152.51 45.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.626 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.737 ' CD2' ' O ' ' A' ' 139' ' ' TYR . 40.4 p90 -59.84 80.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 138' ' ' HIS . . . -119.46 -34.32 1.02 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.452 ' C ' ' H5 ' ' A' ' 178' ' ' NTS . 2.2 mp0 -121.92 172.97 7.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.529 ' CD ' ' C3 ' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -83.77 46.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 125' ' ' LEU . . . -106.79 -16.88 14.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 139' ' ' TYR . 32.0 pt -95.07 -26.99 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 108' ' ' TYR . 1.4 mp -58.53 92.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.483 ' CE2' ' O ' ' A' ' 123' ' ' VAL . 14.1 m-85 -107.42 119.07 38.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 108' ' ' TYR . 4.5 tt -111.35 124.01 33.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.453 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.4 Cg_endo -74.95 131.46 14.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -130.24 64.33 72.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.494 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 165.04 32.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.454 1.766 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 6.3 m -160.54 44.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 151' ' ' VAL . 5.4 t -39.47 103.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 48.3 t 179.78 72.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.529 ' C3 ' ' CD ' ' A' ' 142' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 1.9 mttt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -74.99 -0.16 9.62 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HE3' ' CA ' ' A' ' 27' ' ' LEU . 1.1 tptt -179.87 140.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.476 ' CA ' ' HE3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -175.23 139.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 1.8 tt -96.47 160.38 14.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.564 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 51.2 t80 -153.89 151.94 30.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.463 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 2.9 m -103.77 149.87 24.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 108' ' ' TYR . 1.4 p -64.5 -97.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.534 ' HB2' ' CG ' ' A' ' 142' ' ' LYS . 2.4 t30 -54.89 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.09 -36.4 0.86 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.549 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 62.68 10.25 30.05 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 7.4 m80 -80.89 163.03 23.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.73 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.608 ' CD1' ' HA ' ' A' ' 50' ' ' ASP . 17.6 m-85 -127.36 91.34 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.504 ' HG ' ' CD1' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -33.52 146.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 10.7 ptp180 -138.76 153.05 48.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.6 OUTLIER -130.34 114.47 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -90.72 138.89 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.665 ' CD ' ' CD2' ' A' ' 55' ' ' HIS . 18.4 Cg_endo -74.96 9.35 2.04 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -29.57 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.52 15.59 5.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.473 ' CB ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -118.38 130.91 56.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.378 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.447 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 1.8 t -112.98 165.77 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 170.08 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.92 169.24 17.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 50' ' ' ASP . 20.9 m -145.58 124.52 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.528 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -39.6 -32.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.608 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 2.4 m-20 -160.11 118.88 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -31.03 93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -122.2 33.67 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.582 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -135.41 174.83 10.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.531 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -91.47 -30.29 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.665 ' CD2' ' CD ' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -118.97 82.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.609 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.582 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -130.39 18.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -79.04 162.98 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -148.14 177.16 9.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.447 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 7.5 tp-100 -170.5 147.78 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.504 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -119.56 158.69 25.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.0 t -143.89 53.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.484 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.84 126.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -118.44 0.22 11.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 159.67 126.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -39.63 142.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.67 4.49 81.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.502 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 4.3 tt0 -168.35 106.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.484 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 29.7 m -126.76 164.17 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.45 ' CB ' ' HB3' ' A' ' 61' ' ' SER . 12.7 m-85 -109.81 168.82 9.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.469 HG23 ' CD2' ' A' ' 79' ' ' LEU . 17.8 mt -147.34 126.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -112.18 133.9 54.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.431 ' N ' ' HE3' ' A' ' 71' ' ' LYS . 5.9 t -71.96 70.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -45.09 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 73' ' ' THR . 0.7 OUTLIER 159.68 -38.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 76' ' ' GLY . 25.3 p -119.28 -124.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -145.43 16.17 1.86 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.493 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -101.55 -161.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 49.0 m-85 -151.17 174.56 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 70' ' ' ILE . 7.3 tp -92.52 161.78 14.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -177.21 -175.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 2.3 ttt -147.94 94.44 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.527 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 40.0 m-20 -52.64 168.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.43 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 2.8 m -58.95 -16.6 18.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -81.08 3.07 24.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.508 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 59.91 16.55 39.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -97.74 109.07 21.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 0.811 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.462 ' CD2' HG21 ' A' ' 123' ' ' VAL . 4.2 mp -38.85 119.35 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -144.03 165.24 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.04 156.5 15.9 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.07 156.65 40.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -90.37 29.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.445 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.3 p -134.13 88.67 30.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.427 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -74.98 99.67 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -156.32 -152.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -66.36 69.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 94' ' ' ASN . 27.8 tt0 -177.94 -43.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.1 t -76.71 -26.73 55.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.467 ' CD2' ' HG2' ' A' ' 67' ' ' GLU . 0.5 OUTLIER -59.55 172.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.4 105.07 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.461 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -46.31 98.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 8.6 tt0 -79.42 161.61 26.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.74 78.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.511 ' C ' ' O ' ' A' ' 102' ' ' ARG . 19.3 tp -31.43 95.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 102' ' ' ARG . 1.7 tm-20 -51.8 -40.44 60.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.8 tt0 -130.11 -107.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.569 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 4.4 t30 -139.98 40.51 1.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 5.4 m170 -178.29 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.62 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 15.2 m-85 -54.17 129.24 34.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.623 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 2.5 m120 -105.32 85.02 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.502 ' CG2' HG13 ' A' ' 144' ' ' ILE . 69.5 p -75.18 94.85 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.623 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 17.1 m-85 -78.62 -172.84 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.574 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -165.7 123.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.49 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 59.5 p -34.57 99.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.502 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 4.7 tmtm? -64.37 -22.62 67.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -71.3 -6.72 41.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 113' ' ' SER . 0.2 OUTLIER 179.85 67.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.479 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -85.23 -2.35 57.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -68.18 -17.66 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 6.5 mttt -101.85 -1.77 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.08 20.59 7.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 35.2 m0 -60.21 107.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.574 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 16.1 m-85 -89.02 -176.27 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 6.3 p -117.83 12.65 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.532 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -82.72 107.23 2.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.595 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -62.12 119.46 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.628 ' O ' ' N ' ' A' ' 128' ' ' ASN . 30.6 tttt -24.47 118.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.26 61.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.628 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -143.1 -45.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 125.76 68.07 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 129' ' ' GLY . 2.2 m 168.73 128.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 110.041 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.7 t -41.52 158.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 108.33 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.453 ' HE3' ' CD ' ' A' ' 136' ' ' ARG . 32.5 tptt -129.11 160.29 33.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.425 ' NE ' ' HG2' ' A' ' 135' ' ' PRO . 10.2 ptm180 -95.5 156.11 16.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -39.56 -55.59 2.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.425 ' HG2' ' NE ' ' A' ' 133' ' ' ARG . 18.3 Cg_endo -75.04 63.17 6.01 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.453 ' CD ' ' HE3' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 169.65 39.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 137' ' ' THR . 4.4 p -145.25 92.65 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.6 OUTLIER -139.8 172.25 13.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.618 ' CE2' ' O61' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -52.0 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.493 ' N ' ' O62' ' A' ' 178' ' ' NTS . . . 69.09 0.81 22.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.493 ' C ' ' N ' ' A' ' 143' ' ' ALA . 3.6 mp0 -126.89 105.37 8.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 32' ' ' ASN . 4.2 mttt -51.09 -14.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.578 ' O ' ' CE1' ' A' ' 146' ' ' PHE . . . -48.04 -38.99 18.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.545 HD11 ' CE1' ' A' ' 122' ' ' PHE . 3.9 pt -71.74 -29.9 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.483 HD22 ' CG ' ' A' ' 104' ' ' GLU . 68.2 mt -68.8 105.0 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 143' ' ' ALA . 14.0 m-85 -116.17 124.46 50.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.487 ' O ' ' CD2' ' A' ' 149' ' ' LEU . 1.1 tm? -106.61 102.29 40.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.36 14.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 147' ' ' LEU . 0.2 OUTLIER -129.74 68.9 81.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.469 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 164.99 32.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -170.62 36.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.5 t -39.65 98.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.4 t -172.02 72.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.618 ' O61' ' CE2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' CG ' ' NE2' ' A' ' 57' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 151' ' ' VAL . 18.6 Cg_endo -74.92 -34.36 3.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' CE ' ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -115.89 144.92 43.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -158.55 123.88 4.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.52 HD23 ' CG ' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -93.85 163.74 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.616 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 12.8 t80 -154.91 153.1 30.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.616 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 34.2 m -88.46 153.0 21.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.63 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -57.08 -161.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.63 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.8 OUTLIER -36.06 148.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 29.02 54.63 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.501 ' HA3' ' CB ' ' A' ' 30' ' ' CYS . . . -121.39 161.02 15.6 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.646 ' CD2' ' N ' ' A' ' 49' ' ' ARG . 2.6 m80 -94.39 -178.69 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.562 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.605 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 35.6 m-85 -115.23 98.06 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.593 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -38.74 152.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.458 ' HD3' ' CA ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -141.06 149.05 41.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 1.1 tp -123.56 112.88 35.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' CB ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -91.03 141.25 26.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.568 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.03 7.5 2.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -92.66 -30.53 15.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.2 28.31 2.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.462 ' CB ' HD13 ' A' ' 40' ' ' LEU . 4.4 m -124.55 158.33 33.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 110.427 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.434 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 2.2 t -129.19 169.65 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 174.02 -170.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' HD3' ' A' ' 38' ' ' ARG . . . -141.28 155.69 25.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.457 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 6.3 m -135.75 125.45 25.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.646 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -34.64 -46.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' SER . 58.2 m-20 -142.44 122.15 13.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.605 ' CD ' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -33.79 96.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' ASP . 3.8 t -143.25 50.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.976 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.523 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -123.8 -170.97 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.574 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -82.14 -39.27 23.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -155.27 99.38 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.523 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -114.3 20.52 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.2 mp0 -71.39 129.07 37.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.504 ' O ' ' CE ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -130.54 132.31 45.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.489 ' HB2' ' CG2' ' A' ' 73' ' ' THR . 8.4 tp-100 -120.13 154.47 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.556 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -118.8 165.31 14.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 6.7 t -145.26 51.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.26 125.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.0 OUTLIER -114.0 -3.93 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.07 140.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.52 138.15 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 78.29 1.49 81.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 98' ' ' LEU . 2.1 tt0 -157.49 104.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.468 ' O ' ' CD2' ' A' ' 98' ' ' LEU . 7.4 m -126.94 162.51 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.536 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 11.5 m-85 -119.27 163.43 17.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.482 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 13.1 mt -145.58 124.74 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -129.14 128.94 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' GLU . 1.9 t -62.05 93.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -52.8 89.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 73' ' ' THR . 2.1 tp10 160.62 -60.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 74' ' ' GLU . 7.7 p -99.52 -135.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -142.96 61.95 0.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.18 132.03 45.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 93' ' ' PRO . 65.8 m-85 -106.73 112.43 25.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 4.8 tp -42.36 160.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -177.89 178.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.453 ' CB ' ' HB3' ' A' ' 113' ' ' SER . 0.0 OUTLIER -140.34 103.78 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.43 ' OD2' ' CG ' ' A' ' 88' ' ' TYR . 36.8 m-20 -61.09 171.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.416 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 6.1 m -64.67 -14.53 58.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -5.92 44.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.479 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 73.22 17.48 78.81 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 87' ' ' LEU . 1.9 tt -110.89 127.6 55.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 123' ' ' VAL . 7.2 mp -55.41 136.95 49.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -160.16 150.8 18.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -101.74 154.18 18.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.72 153.78 41.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -78.78 2.64 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.0 p -115.72 94.28 40.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.511 ' HB3' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.98 88.48 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' CYS . 2.2 m-80 -127.55 -175.15 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.45 -39.36 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.473 ' CG ' ' HG3' ' A' ' 115' ' ' LYS . 47.3 tt0 -61.69 -50.81 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' ASN . 16.8 m -64.9 -24.25 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.536 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 3.3 mt -67.26 173.06 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -150.66 124.93 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.461 HD11 ' CB ' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -66.77 104.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.575 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 0.9 OUTLIER -110.61 146.8 35.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.6 -94.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 178.38 117.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.479 ' CB ' HG22 ' A' ' 110' ' ' THR . 3.4 tm-20 -96.71 -35.52 10.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 1.3 mm-40 -130.34 -100.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.609 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 6.2 m120 -170.23 40.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 20.5 m170 -166.48 -61.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.621 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.588 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 11.1 m-85 -65.02 -164.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.629 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 8.8 m120 -158.16 82.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.552 ' CG2' HG13 ' A' ' 144' ' ' ILE . 70.1 p -72.14 99.08 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 6.2 m-85 -81.09 -175.54 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.3 mt -156.27 131.79 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 81' ' ' MET . 1.6 p -49.87 91.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.471 ' CE ' ' HG3' ' A' ' 67' ' ' GLU . 9.8 tttm -50.39 -42.12 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.473 ' HG3' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -45.55 -26.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 81' ' ' MET . 0.2 OUTLIER -166.25 75.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.586 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.461 ' CB ' HD11 ' A' ' 100' ' ' LEU . . . -91.39 -0.08 57.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -64.72 -20.48 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.3 OUTLIER -105.06 3.9 30.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER 64.75 19.03 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.0 m0 -53.97 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.606 ' CD2' HD11 ' A' ' 144' ' ' ILE . 10.6 m-85 -69.63 -170.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 4.0 p -124.24 44.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.403 ' HA3' HG21 ' A' ' 144' ' ' ILE . . . -95.39 -173.2 36.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -151.88 121.67 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.3 tttt -36.89 125.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.512 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.09 59.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 126' ' ' LYS . 14.2 m120 -144.76 -43.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.558 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 137.82 61.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.0 m -179.46 140.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 110.022 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.69 168.58 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 136' ' ' ARG . 1.5 mttt -102.68 131.35 49.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -79.95 153.92 28.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.619 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -37.02 -62.7 0.82 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.04 53.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.56 40.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.76 55.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.412 ' O ' ' O62' ' A' ' 178' ' ' NTS . 1.1 m80 -122.87 141.72 51.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.65 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 8.0 p90 -68.99 -166.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.505 ' N ' ' CD2' ' A' ' 139' ' ' TYR . . . 155.53 -46.47 0.52 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.525 ' HB3' ' C4 ' ' A' ' 178' ' ' NTS . 1.9 mp0 -111.86 -74.91 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.446 ' O ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER 169.46 58.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.561 ' CB ' ' C5 ' ' A' ' 178' ' ' NTS . . . -114.62 19.22 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.65 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 1.0 OUTLIER -127.63 -25.17 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.588 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -57.69 100.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.593 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 4.4 m-85 -89.04 121.23 31.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.481 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -102.36 105.52 43.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.01 130.37 13.2 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.447 ' N ' ' HD3' ' A' ' 150' ' ' PRO . 0.6 OUTLIER -134.31 62.98 58.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.495 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.02 164.96 32.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.797 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 14.4 m -159.5 58.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 23.0 t -62.11 80.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 151' ' ' VAL . 33.6 t -128.69 58.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.561 ' C5 ' ' CB ' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 54.71 3.71 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 3.0 tptt -148.74 138.64 22.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.495 ' CA ' ' HE3' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -167.68 123.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.82 148.43 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.586 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 6.5 t80 -136.84 141.62 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.586 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 4.2 m -75.83 144.51 41.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.566 ' OG ' ' CZ ' ' A' ' 108' ' ' TYR . 1.9 t -68.9 -73.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.05 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.553 ' HB3' ' HG2' ' A' ' 142' ' ' LYS . 3.2 m-80 -100.75 -18.75 16.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.497 ' N ' ' CB ' ' A' ' 142' ' ' LYS . . . -61.67 -40.21 98.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' ARG . . . 77.52 -6.88 42.99 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 24.2 m80 -83.69 167.62 17.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 83.9 m-85 -134.2 95.99 3.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.683 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 0.8 OUTLIER -34.24 148.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.518 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 4.5 ptp180 -146.48 145.27 30.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.525 ' CD1' ' CD2' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -125.86 119.84 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 ' CB ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -86.61 142.59 34.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HA ' ' NE2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.98 8.47 2.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.85 -27.53 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.87 11.88 6.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.446 ' CB ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -118.82 132.15 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 110.388 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.5 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.2 164.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.504 ' C ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER 178.83 -176.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.496 ' N ' ' CD2' ' A' ' 125' ' ' LEU . . . -120.24 179.96 16.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.508 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 57.5 m -156.84 123.76 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 34' ' ' GLY . 56.9 ttt-85 -45.43 -25.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -150.93 127.86 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -55.48 113.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -179.85 68.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.518 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 6.4 t0 -137.3 -172.48 3.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.715 ' H ' ' NE2' ' A' ' 54' ' ' GLN . 3.4 mp0 -54.84 -44.69 74.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.557 ' CG ' ' CD ' ' A' ' 74' ' ' GLU . 1.8 m-70 -173.87 98.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.633 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.34 11.33 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.415 ' OE1' ' ND1' ' A' ' 55' ' ' HIS . 3.6 mp0 -55.0 130.55 42.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.56 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.1 mt -127.45 179.23 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' NE2' ' HG2' ' A' ' 26' ' ' LYS . 3.1 tp-100 -179.59 148.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.07 158.76 22.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.3 t -142.83 54.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.488 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -37.74 131.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -128.39 1.23 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.515 ' O ' ' O ' ' A' ' 67' ' ' GLU . 1.3 m 157.62 120.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -36.16 150.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.482 ' HA2' ' O ' ' A' ' 101' ' ' GLU . . . 66.87 10.52 55.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' O ' ' O ' ' A' ' 64' ' ' SER . 3.9 tt0 -175.35 104.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.288 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.54 ' CG2' ' HB2' ' A' ' 101' ' ' GLU . 35.3 m -127.74 170.81 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.664 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 10.7 m-85 -109.33 171.18 7.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.492 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 18.1 mt -154.3 127.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.656 ' HZ3' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -129.76 113.91 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.656 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 1.4 t -65.45 81.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -35.18 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.557 ' CD ' ' CG ' ' A' ' 55' ' ' HIS . 2.4 mm-40 175.74 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -113.76 59.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.41 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 34.08 35.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.7 OUTLIER -87.37 105.27 17.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.27 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.476 ' O ' ' CA ' ' A' ' 89' ' ' GLY . 59.4 m-85 -84.81 148.54 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -85.22 142.08 29.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . -163.29 178.28 8.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.438 ' HE1' ' CA ' ' A' ' 85' ' ' GLY . 1.5 ttt -145.74 107.93 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.564 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 61.9 m-20 -65.21 173.65 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.443 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 16.3 m -60.08 -16.43 31.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.88 7.03 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.481 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 55.95 17.49 16.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.11 106.39 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 2.6 mp -39.01 135.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.564 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -165.83 165.14 18.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.33 160.66 14.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.06 163.59 33.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -88.44 38.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.46 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.4 p -136.75 89.39 17.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.465 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.5 Cg_endo -74.91 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.6 OUTLIER -158.59 -164.05 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.49 -40.4 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 88' ' ' TYR . 10.0 tt0 -59.65 -68.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.2 t -54.06 -41.9 68.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 108.267 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.664 ' CD2' ' CZ ' ' A' ' 69' ' ' TYR . 2.6 mm? -48.13 166.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.584 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -150.17 99.6 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -39.86 99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -95.17 161.77 13.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.629 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -179.53 91.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -20.21 102.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.5 ' OE1' ' CG ' ' A' ' 105' ' ' GLU . 3.0 tm-20 -66.93 -39.77 87.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.5 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 0.6 OUTLIER -130.12 -97.17 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 2.9 t-20 -164.94 49.31 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 7.1 m170 -176.02 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.556 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 145' ' ' LEU . 3.4 m-85 -68.88 -160.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.535 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 24.5 m120 -167.29 40.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.466 ' OG1' ' HB2' ' A' ' 104' ' ' GLU . 31.8 p -42.78 153.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.663 ' CD1' ' N ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -135.18 -178.57 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.709 ' CD1' ' CE1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -150.97 125.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.561 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 8.1 t -30.97 101.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.478 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 2.0 tmtm? -68.52 -28.98 67.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.93 -11.38 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.561 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -177.05 63.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 112' ' ' ILE . . . -78.14 -7.31 56.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.68 -14.66 14.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.3 OUTLIER -111.1 5.53 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 122' ' ' PHE . 29.3 m120 55.95 34.96 24.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.61 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.1 m0 -66.22 77.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.709 ' CE1' ' CD1' ' A' ' 112' ' ' ILE . 2.3 m-85 -56.31 165.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.584 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 4.2 p -107.9 82.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 143' ' ' ALA . . . -153.38 127.39 2.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.613 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -77.3 125.67 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 0.726 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.613 ' C ' ' O ' ' A' ' 125' ' ' LEU . 27.9 tttt -22.13 124.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.525 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.12 59.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 126' ' ' LYS . 3.1 t-20 -151.37 -46.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.48 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 139.83 63.62 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 168.92 128.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.42 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.6 tptt -150.75 148.48 28.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 134' ' ' GLY . 44.2 ttt180 -69.12 158.09 35.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.78 -57.18 1.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.99 59.17 5.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 173.12 39.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 8.0 t -154.78 98.93 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -140.24 -147.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.509 ' O ' ' N ' ' A' ' 141' ' ' GLN . 0.1 OUTLIER -67.71 -160.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.696 ' CA ' ' H5 ' ' A' ' 178' ' ' NTS . . . 38.0 26.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.656 ' O ' ' N ' ' A' ' 143' ' ' ALA . 0.0 OUTLIER -119.17 80.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 110.28 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.553 ' HG2' ' HB3' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -35.36 -25.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.656 ' N ' ' O ' ' A' ' 141' ' ' GLN . . . -57.74 -34.68 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.63 HG12 ' O ' ' A' ' 141' ' ' GLN . 19.8 pt -72.97 -32.45 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.701 ' CD1' ' CD2' ' A' ' 108' ' ' TYR . 5.5 tp -68.77 78.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.683 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 9.5 m-85 -94.66 129.45 41.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 107' ' ' HIS . 0.8 OUTLIER -120.39 128.74 25.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.562 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.2 Cg_endo -75.0 128.08 11.2 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.589 ' N ' ' HD3' ' A' ' 150' ' ' PRO . 0.4 OUTLIER -130.15 55.07 16.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.589 ' HD3' ' N ' ' A' ' 149' ' ' LEU . 18.3 Cg_endo -75.03 -168.39 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.796 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -173.7 39.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.6 82.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 151' ' ' VAL . 0.5 OUTLIER -127.22 74.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.696 ' H5 ' ' CA ' ' A' ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' CB ' ' NE2' ' A' ' 57' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 76.34 3.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.528 1.804 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -167.78 125.42 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.453 HD22 ' CZ ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -162.11 144.24 11.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.07 152.78 19.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 38.6 t80 -135.0 150.26 50.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 143' ' ' ALA . 0.5 OUTLIER -110.2 145.94 36.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.279 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 t -59.91 -86.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.495 ' CB ' ' HB2' ' A' ' 142' ' ' LYS . 33.0 t30 -73.93 134.56 43.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.66 -25.17 14.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.614 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 59.36 21.39 53.84 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.496 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 80.4 m80 -57.27 154.12 10.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 34' ' ' GLY . 71.4 m-85 -132.34 96.43 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' HG ' ' CD1' ' A' ' 125' ' ' LEU . 0.4 OUTLIER -37.37 154.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -144.9 162.21 37.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.54 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.9 OUTLIER -130.85 108.97 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -86.0 141.72 35.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.1 Cg_endo -75.03 9.91 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.571 1.827 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.39 -30.24 14.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.71 19.74 5.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.473 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.1 m -121.11 131.76 54.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.539 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.61 166.48 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.539 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 175.06 -170.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -130.49 153.32 20.14 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -128.82 126.88 40.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.374 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 34' ' ' GLY . 1.9 tmt_? -37.94 -47.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -139.89 112.49 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.57 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -31.5 115.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 52' ' ' SER . 11.3 p -172.57 64.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.062 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.456 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 3.7 t0 -134.8 -174.88 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.501 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -66.22 -18.56 65.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.581 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 2.5 m-70 174.15 111.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.553 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.453 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.72 14.76 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.442 ' NE2' ' CB ' ' A' ' 24' ' ' LYS . 77.4 mt-30 -60.04 148.56 35.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 1.3 mp -147.38 175.84 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -173.95 142.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.96 160.26 16.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 6.5 t -143.36 51.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.68 124.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.49 -0.42 13.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 165.6 175.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 m -72.42 152.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 49.66 24.64 5.98 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.477 ' HG2' ' CD2' ' A' ' 98' ' ' LEU . 4.1 tt0 -169.12 107.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 101' ' ' GLU . 5.2 m -133.34 161.8 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 98' ' ' LEU . 17.2 m-85 -111.81 164.05 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 78' ' ' TYR . 27.3 mt -146.23 131.15 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HZ3' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -137.93 104.57 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.532 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 2.3 t -61.94 79.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 73' ' ' THR . 15.0 t -49.76 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.581 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.2 mm-40 164.03 -46.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -105.57 -27.15 11.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.87 35.01 13.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -112.06 119.29 37.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 110.266 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CD1' ' HB3' ' A' ' 93' ' ' PRO . 49.3 m-85 -80.29 103.88 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 6.5 tp -38.73 145.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -166.52 -177.46 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.471 ' CB ' ' HB2' ' A' ' 113' ' ' SER . 0.0 OUTLIER -143.62 92.74 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.506 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 11.5 m-20 -44.14 166.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.467 ' CG2' ' CE ' ' A' ' 115' ' ' LYS . 1.1 p -61.16 -14.07 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.76 8.85 18.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.553 ' CA ' ' CE3' ' A' ' 121' ' ' TRP . . . 57.72 28.14 59.81 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' LEU . 2.1 tt -109.94 108.62 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.439 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 5.1 mp -39.75 134.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -166.92 153.15 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.08 132.6 9.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 1.7 t -122.05 164.04 18.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -79.35 3.23 18.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 92' ' ' THR . 12.0 p -115.73 88.61 20.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HB3' ' CD1' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.02 104.63 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.447 ' N ' ' SG ' ' A' ' 97' ' ' CYS . 3.3 m-80 -140.91 -174.51 4.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 94' ' ' ASN . 0.8 OUTLIER -35.89 -40.58 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.444 ' CG ' ' HD3' ' A' ' 115' ' ' LYS . 45.1 tt0 -61.5 -54.13 47.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.5 ' SG ' ' CE2' ' A' ' 69' ' ' TYR . 3.5 p -58.81 -38.85 79.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 108.318 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -50.47 174.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.3 120.98 6.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.504 ' CD1' ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -61.46 98.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.583 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 6.5 tt0 -104.41 143.51 32.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -144.53 -96.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.255 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 102' ' ' ARG . 1.9 tp 178.9 117.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.467 ' CD ' ' CD2' ' A' ' 145' ' ' LEU . 3.9 tm-20 -91.6 -43.95 9.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -130.05 -92.25 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.557 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 2.0 t-20 -179.12 58.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.557 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 14.1 m-70 179.97 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.548 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.24 -154.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.457 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 7.6 m120 -168.23 66.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.496 ' CG2' HG13 ' A' ' 144' ' ' ILE . 76.8 p -55.6 99.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.583 ' CD2' ' HG3' ' A' ' 101' ' ' GLU . 5.4 m-85 -81.3 -172.73 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.592 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -163.46 119.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 81' ' ' MET . 6.8 t -35.03 101.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.458 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 17.3 tttm -57.46 -17.22 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.467 ' CE ' ' CG2' ' A' ' 83' ' ' THR . 0.0 OUTLIER -92.31 -3.33 55.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.735 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 1.3 m-70 -152.48 39.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.659 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.504 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -77.35 -1.2 28.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.49 -29.22 30.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 1.8 tttt -101.92 -0.04 34.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 65.45 28.61 11.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.735 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 34.3 m0 -64.55 78.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.595 ' CE2' HD11 ' A' ' 144' ' ' ILE . 13.6 m-85 -54.21 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 5.1 p -122.9 17.8 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -88.91 107.58 3.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.611 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -61.31 118.8 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 128' ' ' ASN . 0.7 OUTLIER -22.77 116.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -62.7 61.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.638 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -141.12 -43.81 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.496 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.74 58.48 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.68 114.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.969 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -41.7 156.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.1 mptt -121.21 167.77 12.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 135' ' ' PRO . 21.8 ptt180 -96.0 165.49 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.612 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -35.1 -56.58 0.86 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.487 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.0 55.73 4.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 176.94 37.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.52 92.02 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 139' ' ' TYR . 6.3 m80 -148.82 172.22 15.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.608 ' CE2' ' O62' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -54.8 -164.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.502 ' N ' ' O63' ' A' ' 178' ' ' NTS . . . 65.58 4.77 20.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.492 ' C ' ' N ' ' A' ' 143' ' ' ALA . 4.2 mt-30 -131.17 107.69 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.813 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.529 ' HG2' ' C10' ' A' ' 178' ' ' NTS . 7.9 mttt -51.59 -13.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.548 ' O ' ' CE1' ' A' ' 146' ' ' PHE . . . -48.67 -32.9 9.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.595 HD11 ' CE2' ' A' ' 122' ' ' PHE . 3.5 pt -79.37 -29.02 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 142' ' ' LYS . 40.5 mt -65.11 90.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 143' ' ' ALA . 13.2 m-85 -105.09 116.96 32.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.499 ' CD2' ' HD2' ' A' ' 148' ' ' PRO . 0.0 OUTLIER -103.35 109.67 62.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.499 ' HD2' ' CD2' ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.03 129.86 12.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.546 1.814 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.432 ' N ' ' HD3' ' A' ' 150' ' ' PRO . 1.5 pp -133.27 63.74 66.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.499 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 -168.9 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -178.64 41.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.5 t -46.42 108.79 0.15 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 30.6 t -142.95 78.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.608 ' O62' ' CE2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 100.13 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -176.77 146.71 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.492 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -155.89 107.61 2.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 2.7 tt -65.85 157.48 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.727 ' CE2' ' O ' ' A' ' 30' ' ' CYS . 7.3 t80 -157.74 156.17 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.727 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 59.5 m -80.11 166.52 21.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.645 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 3.1 t -71.23 -117.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.728 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -50.22 132.58 24.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.665 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 4.51 61.64 0.0 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.728 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -103.99 -173.3 25.43 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 49' ' ' ARG . 2.8 m80 -92.05 -176.63 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 0.775 . . . . 0.0 109.6 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.632 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 57.1 m-85 -123.38 98.98 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.663 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 1.1 mt -29.9 141.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.484 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 1.6 ptp180 -145.52 157.22 44.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.567 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -142.09 152.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' CD2' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -108.95 145.26 31.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 2.64 6.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.74 -53.47 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.04 45.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.479 HG23 ' CD2' ' A' ' 40' ' ' LEU . 1.7 m -142.48 169.41 17.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.429 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' ' CD1' ' A' ' 39' ' ' ILE . 1.4 t -144.67 164.58 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.448 ' HA ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER 174.29 -171.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.13 165.34 24.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.097 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.484 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 2.7 m -140.02 127.4 21.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.573 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -44.32 -33.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -144.48 115.36 7.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -35.98 122.25 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.3 t 179.65 70.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -145.59 -178.23 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.579 ' NE2' ' H ' ' A' ' 55' ' ' HIS . 3.3 pm0 -57.98 -40.09 79.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 6.8 m-70 -172.99 105.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.571 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -111.2 31.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -79.83 123.45 27.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 37' ' ' LEU . 4.9 mp -130.62 116.37 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -109.49 136.71 48.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -96.39 162.36 13.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 7.1 t -143.02 50.2 1.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.462 ' CB ' HG13 ' A' ' 68' ' ' VAL . . . -40.38 128.74 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -119.41 -2.26 10.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.9 135.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.39 138.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.31 -3.56 66.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' HG3' ' CE ' ' A' ' 114' ' ' LYS . 3.6 tt0 -155.85 102.61 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.537 HG22 ' CE1' ' A' ' 111' ' ' TYR . 34.8 m -127.2 164.66 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.559 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 19.1 m-85 -117.54 169.34 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.482 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 13.3 mt -146.41 133.66 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HZ3' ' N ' ' A' ' 77' ' ' GLN . 0.1 OUTLIER -139.86 94.32 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 77' ' ' GLN . 42.7 t -57.23 84.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 73' ' ' THR . 7.3 t -68.94 102.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 1.4 mm-40 164.44 -38.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.425 ' CG2' ' OE1' ' A' ' 77' ' ' GLN . 3.2 t -129.05 3.59 5.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.438 ' HA2' ' NZ ' ' A' ' 71' ' ' LYS . . . 65.62 76.27 0.34 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.568 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -148.77 144.4 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 19.6 m-85 -112.29 102.76 10.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 39' ' ' ILE . 4.3 tp -42.8 139.09 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.564 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -161.35 -175.54 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -154.27 113.33 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -76.71 177.23 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.416 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 33.0 p -59.45 -14.96 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.492 ' OD2' ' CZ ' ' A' ' 133' ' ' ARG . 2.8 t0 -85.5 8.65 18.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.13 27.08 5.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -105.05 107.1 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 0.814 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.428 ' CD2' HG21 ' A' ' 123' ' ' VAL . 2.8 mp -41.09 128.61 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.3 p90 -154.39 172.81 17.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -99.43 157.3 19.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.0 t -146.7 116.86 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -69.11 -5.82 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.446 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 7.4 p -114.76 99.61 52.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.457 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.03 101.7 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -157.26 -150.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.11 69.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' ASN . 27.2 tt0 -178.27 -54.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -68.1 -32.12 72.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.35 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.559 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -54.98 -179.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.2 OUTLIER -160.79 122.84 3.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -62.63 104.78 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.494 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -84.32 160.06 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 110.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.548 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -173.05 79.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -28.57 96.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.7 tm-20 -61.4 -43.86 98.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -130.23 -105.04 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.599 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 5.7 t30 -143.32 36.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 7.3 m170 -176.09 -66.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 31' ' ' SER . 29.7 m-85 -53.41 133.68 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.64 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 13.2 m120 -109.0 78.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.475 ' CG2' ' HG ' ' A' ' 145' ' ' LEU . 70.4 p -68.42 93.68 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.64 ' CD2' ' O ' ' A' ' 109' ' ' ASN . 8.0 m-85 -81.27 -176.5 6.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.585 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -163.41 130.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.514 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 8.6 t -35.89 100.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.481 ' CE ' ' HG3' ' A' ' 67' ' ' GLU . 2.2 tmtm? -66.98 -26.66 66.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -65.31 -15.73 62.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.514 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -175.02 70.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.61 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.417 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -79.68 -8.04 58.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.09 -22.52 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 4.2 mttt -100.03 1.01 42.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 122' ' ' PHE . 30.5 m120 60.24 28.19 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 26.9 m0 -63.4 80.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 107.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.585 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 4.8 m-85 -62.1 177.32 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 5.9 p -113.75 20.95 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.484 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -92.35 105.03 3.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.615 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.8 OUTLIER -59.33 116.09 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.649 ' O ' ' N ' ' A' ' 128' ' ' ASN . 2.0 tttt -22.29 115.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.534 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -62.46 61.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.649 ' N ' ' O ' ' A' ' 126' ' ' LYS . 8.6 t-20 -135.24 -42.37 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.556 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 130.07 52.77 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 131' ' ' CYS . 1.5 m 169.63 135.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' SER . 2.9 t -47.52 171.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.432 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 6.6 tptt -150.25 148.79 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.492 ' CZ ' ' OD2' ' A' ' 84' ' ' ASP . 0.1 OUTLIER -70.76 153.46 42.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.551 ' C ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.42 -56.78 1.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -74.99 54.84 3.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.768 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 175.68 38.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.14 93.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.0 OUTLIER -131.0 -164.46 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.665 ' CD2' ' O62' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -56.77 -156.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.419 ' N ' ' O63' ' A' ' 178' ' ' NTS . . . 47.2 22.2 1.33 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.516 ' C ' ' N ' ' A' ' 143' ' ' ALA . 39.7 mt-30 -143.07 103.09 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.567 ' HG3' ' C4 ' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -42.24 -22.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.529 ' O ' ' CE1' ' A' ' 146' ' ' PHE . . . -44.87 -46.51 10.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.652 ' CD1' ' CD1' ' A' ' 139' ' ' TYR . 19.1 pt -65.82 -34.68 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 7.4 mp -77.91 104.49 8.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.663 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 14.2 m-85 -112.44 125.57 54.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 107' ' ' HIS . 1.0 OUTLIER -110.22 98.73 36.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.414 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.3 Cg_endo -75.04 133.55 16.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.449 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 2.8 pp -123.83 73.64 54.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 148' ' ' PRO . 18.3 Cg_endo -75.03 174.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.811 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 153' ' ' SER . 0.0 OUTLIER -174.48 46.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 14.2 t -59.0 84.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 151' ' ' VAL . 41.4 t -112.51 74.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.966 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.665 ' O62' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.436 ' O ' ' CG2' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.96 54.05 3.5 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -110.64 139.24 46.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' N ' ' CE ' ' A' ' 26' ' ' LYS . 3.6 pp -168.47 123.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.7 OUTLIER -69.94 169.38 13.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.723 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 57.2 t80 -159.5 147.52 17.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.428 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -92.03 147.03 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.424 ' OG ' ' HB3' ' A' ' 142' ' ' LYS . 79.2 p -66.72 -83.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.566 ' HB2' ' CG ' ' A' ' 142' ' ' LYS . 0.9 OUTLIER -72.06 -48.08 46.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' O ' ' ND1' ' A' ' 35' ' ' HIS . . . -55.42 -32.16 57.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 58.63 12.13 12.76 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 78.0 m80 -79.64 140.69 37.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.751 . . . . 0.0 109.596 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 25.6 m-85 -109.84 89.76 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.499 ' HG ' ' CD1' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -36.82 152.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.513 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.99 -178.21 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -155.68 120.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.619 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -105.34 142.11 24.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.673 ' HD3' ' CD2' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.06 5.17 4.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.35 -34.47 23.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.51 33.68 1.28 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.35 120.51 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 110.451 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -108.16 166.76 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.545 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 174.27 -170.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.476 ' N ' ' CD2' ' A' ' 125' ' ' LEU . . . -133.42 122.27 3.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.491 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 1.1 m -89.92 136.97 32.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.36 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -47.16 -43.1 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.531 ' O ' ' C ' ' A' ' 51' ' ' ARG . 56.6 m-20 -146.93 112.95 5.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.605 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -25.67 92.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' ASP . 6.3 p -127.61 31.05 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.576 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -126.16 -178.08 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.591 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -92.16 -36.91 13.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.673 ' CD2' ' HD3' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -120.29 86.93 2.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.576 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -128.9 17.82 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 22.4 mp0 -84.83 162.35 19.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -147.53 165.14 31.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -161.65 132.34 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -93.63 160.03 14.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' ALA . 10.2 t -147.01 49.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.45 ' CB ' HG13 ' A' ' 68' ' ' VAL . . . -38.86 124.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -117.68 1.89 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 177.55 173.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.416 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -81.41 148.72 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.61 13.33 37.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 98' ' ' LEU . 1.4 pm0 -166.94 118.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG1' ' OE1' ' A' ' 101' ' ' GLU . 27.6 m -134.97 164.51 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 18.8 m-85 -111.71 167.26 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.9 mt -142.8 126.05 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.609 ' CG ' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -129.53 92.86 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 t -54.11 95.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 73' ' ' THR . 13.5 t -54.52 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.82 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.0 p -80.27 -120.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.86 30.47 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.509 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -135.8 -169.08 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 71' ' ' LYS . 6.1 m-85 -138.85 131.49 28.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' SG ' ' A' ' 97' ' ' CYS . 5.3 tp -41.22 146.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.592 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -165.25 177.42 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.446 ' SD ' ' CD1' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -147.83 88.78 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.536 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 16.1 m-20 -46.02 168.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.467 ' CG2' ' HE2' ' A' ' 115' ' ' LYS . 32.5 p -63.16 -11.83 23.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.395 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -78.28 -9.16 59.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.48 23.43 78.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 3.1 tt -112.06 111.7 22.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.8 mp -39.38 134.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.592 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -161.38 163.16 30.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.52 152.67 17.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 t -147.6 127.87 13.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 0.0 110.034 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.98 -1.1 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.474 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 8.6 p -114.85 96.92 46.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.449 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.478 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -75.04 106.42 2.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.478 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.7 OUTLIER -149.88 -158.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.57 68.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' ASN . 24.3 tt0 -178.19 -59.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 5.2 t -61.44 -33.15 73.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.21 173.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.51 113.17 5.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -56.71 98.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.455 ' OE1' ' CG1' ' A' ' 68' ' ' VAL . 11.7 tt0 -61.54 167.24 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 104' ' ' GLU . 4.3 mtm180 179.58 93.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -58.61 83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.0 tm-20 -46.35 -45.98 17.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 1.6 tt0 -129.8 -102.7 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 16.4 t30 -141.7 36.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 6.9 m170 -176.28 -59.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -63.69 103.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.567 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 37.4 m-20 -85.8 64.72 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.516 ' CG2' HG13 ' A' ' 144' ' ' ILE . 40.7 p -51.24 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.404 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 43.6 m-85 -79.55 -167.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.576 HD12 ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -169.52 119.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 112' ' ' ILE . 79.4 p -33.91 100.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -17.44 14.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.467 ' HE2' ' CG2' ' A' ' 83' ' ' THR . 0.0 OUTLIER -89.18 -12.05 42.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.76 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 2.4 m-70 -143.1 39.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 100' ' ' LEU . . . -70.53 -17.78 62.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -78.3 -20.04 52.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.528 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -102.38 -4.8 24.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.36 15.07 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.76 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 35.4 m0 -56.47 95.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 108.05 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.576 ' CE1' HD12 ' A' ' 112' ' ' ILE . 16.7 m-85 -74.35 -172.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.565 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 4.3 p -121.52 13.48 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.492 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -84.92 105.88 2.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.595 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -60.07 121.0 10.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.5 tttt -24.58 119.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -64.33 60.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.605 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -140.65 -44.44 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.585 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.08 62.38 0.12 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 129' ' ' GLY . 2.2 m 169.08 123.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.6 t -41.37 156.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.432 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 21.1 tptt -126.09 160.47 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.418 ' NE ' ' HG2' ' A' ' 135' ' ' PRO . 10.6 ptm180 -85.92 158.97 19.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -40.81 -57.04 2.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.418 ' HG2' ' NE ' ' A' ' 133' ' ' ARG . 18.3 Cg_endo -75.0 65.1 6.07 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.432 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 170.99 39.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 7.4 p -146.98 96.98 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -141.84 175.83 9.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.612 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.647 ' CD2' ' O61' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -52.85 -166.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.492 ' N ' ' O62' ' A' ' 178' ' ' NTS . . . 60.46 4.31 3.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.508 ' C ' ' H ' ' A' ' 143' ' ' ALA . 3.3 mp0 -125.04 103.42 8.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.568 ' HG2' ' C4 ' ' A' ' 178' ' ' NTS . 4.6 mmtt -52.69 -10.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.508 ' H ' ' C ' ' A' ' 141' ' ' GLN . . . -53.55 -34.91 59.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.535 HG23 ' CD2' ' A' ' 122' ' ' PHE . 4.4 pt -74.41 -29.76 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.48 ' CD1' ' HD3' ' A' ' 142' ' ' LYS . 45.1 mt -66.55 108.36 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.492 ' CZ ' ' HA2' ' A' ' 124' ' ' GLY . 12.6 m-85 -120.81 121.83 39.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 107' ' ' HIS . 1.4 tm? -111.83 102.64 54.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.417 ' N ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.99 142.31 27.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.29 68.85 80.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.505 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.97 171.43 18.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.1 OUTLIER -171.59 36.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.7 t -39.5 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.4 t -172.82 71.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.039 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.647 ' O61' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.486 ' O ' ' CG2' ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.98 -44.2 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -99.81 141.55 32.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.49 ' N ' ' CE ' ' A' ' 26' ' ' LYS . 2.2 pp -174.73 113.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.86 165.84 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -158.01 129.46 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -73.07 152.07 41.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 108.33 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 87.6 p -60.72 -87.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.449 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -77.85 -51.17 10.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -33.74 -41.7 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 71.05 2.73 48.84 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' NE2' ' C ' ' A' ' 128' ' ' ASN . 37.9 m80 -76.73 159.76 29.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 109.607 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 53.2 m-85 -130.27 97.37 4.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -39.71 159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.456 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -143.87 159.19 42.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.523 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -132.19 110.78 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -88.15 139.71 30.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.97 11.38 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -95.79 -30.45 13.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.89 21.08 4.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 111.05 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.433 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.1 m -123.56 132.39 53.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -109.32 167.24 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.549 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 176.84 -168.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.79 154.2 21.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.456 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.2 m -132.69 131.6 41.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -43.71 -45.72 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.2 m-20 -139.74 112.4 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.575 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -29.82 121.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 52' ' ' SER . 1.3 t 179.81 69.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 10.2 t0 -141.68 -174.28 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -58.29 -34.76 70.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -177.8 108.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -110.37 15.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.407 ' NE2' ' HD2' ' A' ' 25' ' ' PRO . 1.8 mt-30 -64.94 111.26 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.544 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 5.3 mt -111.16 133.95 53.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 73' ' ' THR . 0.0 OUTLIER -131.55 135.61 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -103.71 163.19 12.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 61' ' ' SER . 2.7 t -139.3 54.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -40.8 125.91 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -114.82 -3.78 12.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.21 137.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -41.61 137.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 3.54 70.79 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' HG2' ' CD1' ' A' ' 98' ' ' LEU . 2.5 tt0 -157.15 104.97 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.418 ' O ' ' CD2' ' A' ' 98' ' ' LEU . 23.8 m -132.75 162.27 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.587 ' CD1' HD22 ' A' ' 98' ' ' LEU . 25.8 m-85 -117.41 170.31 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.4 mt -146.47 129.15 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -134.88 116.33 14.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.587 ' O ' ' N ' ' A' ' 74' ' ' GLU . 1.2 t -50.07 100.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -55.75 77.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.587 ' N ' ' O ' ' A' ' 72' ' ' SER . 18.8 tp10 173.21 -73.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 76' ' ' GLY . 10.1 p -89.84 -132.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -140.77 42.37 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.81 115.88 30.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.791 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 41.6 m-85 -91.99 107.51 19.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 tp -42.81 150.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . -171.66 -178.05 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.25 116.2 9.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 33.7 m-20 -72.05 171.97 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.423 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 1.6 p -58.88 -15.67 13.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.82 5.02 26.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.496 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 58.31 23.48 53.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -106.15 105.93 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.496 ' CD1' ' SD ' ' A' ' 81' ' ' MET . 1.4 mp -38.95 138.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 82' ' ' ASP . 3.1 p90 -165.75 154.36 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.08 151.44 19.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.46 158.86 44.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -90.35 31.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.4 p -135.07 89.47 23.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.446 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.97 102.91 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.446 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.4 m-80 -157.65 -163.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -39.76 -41.11 1.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 9.1 tt0 -57.95 -74.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -44.37 -39.94 5.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 108.305 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.587 HD22 ' CD1' ' A' ' 69' ' ' TYR . 5.5 mt -48.9 167.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.558 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.13 102.97 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.48 101.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -67.14 176.73 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 101' ' ' GLU . 6.7 mtm180 -179.69 94.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.84 87.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.495 ' OE1' ' CD2' ' A' ' 145' ' ' LEU . 0.6 OUTLIER -64.52 -56.89 11.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 0.7 OUTLIER -99.52 -121.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.567 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 36.4 p-10 -132.02 39.39 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 13.4 m-70 -179.99 -61.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.545 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CE2' HD11 ' A' ' 145' ' ' LEU . 15.6 m-85 -43.05 153.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.613 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 20.7 m120 -125.68 63.3 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.48 ' CG2' HG13 ' A' ' 144' ' ' ILE . 67.1 p -54.56 97.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.613 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 24.6 m-85 -79.56 -177.6 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.573 HD13 ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -159.04 131.62 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.591 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 22.8 t -42.03 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.477 ' CD ' ' HG3' ' A' ' 67' ' ' GLU . 15.2 tttp -63.73 -24.02 67.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.519 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -66.83 -10.81 51.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.591 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.95 61.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.564 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.469 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -72.33 -14.69 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.13 -17.83 21.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.555 ' CD ' ' CZ2' ' A' ' 121' ' ' TRP . 0.2 OUTLIER -99.78 -2.26 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 137' ' ' THR . 30.7 m120 62.12 37.73 14.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 39.3 m0 -78.92 95.73 5.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.596 ' CD2' HD11 ' A' ' 144' ' ' ILE . 14.0 m-85 -76.23 -179.77 5.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.558 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 7.6 p -113.62 36.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 143' ' ' ALA . . . -93.39 119.95 6.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 126' ' ' LYS . 2.2 mt -95.15 125.63 39.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 128' ' ' ASN . 74.7 tttt -36.84 131.49 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.527 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -69.34 58.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 126' ' ' LYS . 3.7 m120 -143.28 -45.55 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.52 71.39 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 169.98 120.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 132' ' ' LYS . 24.5 t -49.47 156.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 131' ' ' CYS . 0.3 OUTLIER -98.77 168.4 10.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.415 ' CD ' ' HG2' ' A' ' 135' ' ' PRO . 2.5 ptp180 -99.14 151.35 21.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -38.44 -54.38 2.18 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.494 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -75.0 51.24 2.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.445 1.761 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.5 39.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.426 ' H ' ' CE1' ' A' ' 138' ' ' HIS . 0.2 OUTLIER -126.61 60.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER -131.97 133.82 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.564 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.638 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 10.2 p90 -54.77 -171.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.454 ' O ' ' NE2' ' A' ' 141' ' ' GLN . . . 144.48 -16.71 2.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.541 ' HB2' ' C5 ' ' A' ' 178' ' ' NTS . 2.2 mp0 -135.5 -78.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 141' ' ' GLN . 0.0 OUTLIER 170.86 44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.539 ' CB ' ' C5 ' ' A' ' 178' ' ' NTS . . . -100.18 11.73 38.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.638 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 1.1 pt -123.82 -24.29 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 108' ' ' TYR . 3.0 mt -54.24 100.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 4.6 m-85 -108.04 120.74 43.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.37 99.11 39.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 142.23 27.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.568 1.825 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.457 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 1.4 pp -132.99 65.1 73.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.498 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.01 165.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.4 OUTLIER -167.52 57.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.4 t -60.16 83.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.97 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 151' ' ' VAL . 33.4 t -132.7 56.03 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.541 ' C5 ' ' HB2' ' A' ' 141' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -51.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HZ3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -157.58 150.08 22.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -152.27 100.67 2.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -66.59 167.92 10.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.441 ' HD1' ' CE2' ' A' ' 36' ' ' PHE . 84.8 t80 -160.36 124.28 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -79.45 143.24 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 108.293 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 p -57.85 -91.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 142' ' ' LYS . 1.7 t30 -62.98 -67.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -35.45 -37.68 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.08 17.48 44.88 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 3.7 m80 -85.38 159.1 20.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.685 ' CZ ' ' CZ ' ' A' ' 51' ' ' ARG . 72.7 m-85 -120.45 97.2 5.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.571 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -40.22 144.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.503 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 9.1 ptp180 -139.29 141.17 37.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -120.28 120.8 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.493 HD13 ' CG2' ' A' ' 44' ' ' THR . 0.3 OUTLIER -93.79 138.01 22.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.571 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.01 10.38 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.58 -28.26 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.68 21.73 3.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.493 ' CG2' HD13 ' A' ' 40' ' ' LEU . 4.5 m -124.75 142.46 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 1.6 t -124.79 165.51 21.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' C ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER 173.07 -171.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.477 ' CA ' HD23 ' A' ' 125' ' ' LEU . . . -127.79 166.43 20.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 56.9 m -142.61 123.76 14.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.479 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -45.13 -25.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.573 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -155.41 128.73 8.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.685 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -49.11 91.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' ASP . 5.2 p -136.38 46.18 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.945 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.527 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -119.86 -171.3 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.573 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -85.04 -39.6 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.573 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -155.8 99.81 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.527 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -113.73 18.14 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.501 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 9.7 mp0 -66.73 166.63 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.515 ' N ' ' HZ3' ' A' ' 26' ' ' LYS . 53.7 mt -155.92 -176.14 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 1.8 tt0 -173.13 132.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.31 161.88 13.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.4 t -146.62 53.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.504 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.15 127.34 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.8 pp20? -121.16 1.1 10.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 160.79 123.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -37.31 148.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.479 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 69.76 9.43 62.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.51 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 4.0 tt0 -172.73 106.09 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.504 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 28.3 m -127.44 166.05 25.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.541 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 10.5 m-85 -110.26 165.05 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.487 HG23 ' CD2' ' A' ' 79' ' ' LEU . 57.0 mt -144.25 127.0 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -126.09 125.78 43.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.6 t -67.46 71.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 73' ' ' THR . 14.6 t -53.1 89.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.388 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' SER . 0.6 OUTLIER 171.41 -44.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 41' ' ' PRO . 69.0 p -103.01 -102.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.43 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -177.38 33.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.446 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -125.63 -168.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 36.8 m-85 -137.3 165.92 25.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.487 ' CD2' HG23 ' A' ' 70' ' ' ILE . 15.0 tp -101.13 134.96 43.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.557 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -153.96 -165.31 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.513 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -153.81 88.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.566 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 61.4 m-20 -48.88 175.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.438 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 9.7 m -62.44 -13.25 27.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -90.15 21.8 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.0 29.8 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' ASP . 3.3 tt -107.41 106.36 16.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 6.3 mp -39.55 114.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -142.47 168.87 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.34 154.86 16.33 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.32 158.83 44.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.32 38.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.2 p -143.49 93.45 6.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.436 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.03 105.43 2.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.436 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 3.2 m-80 -155.31 -167.77 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -38.58 -44.93 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' CG ' ' HG3' ' A' ' 115' ' ' LYS . 18.5 tt0 -56.26 -73.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.431 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 14.2 t -42.89 -43.34 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.541 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -51.28 172.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -152.22 99.01 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -39.64 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.552 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 27.2 tt0 -77.66 160.37 28.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.518 ' NH2' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER 178.55 76.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 102' ' ' ARG . 8.5 tp -35.12 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.477 ' OE1' ' CD1' ' A' ' 145' ' ' LEU . 1.4 tm-20 -45.09 -60.09 2.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -115.12 -100.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 47.5 p-10 -146.42 50.63 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.9 m170 179.97 -52.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.582 ' CD2' ' CD2' ' A' ' 145' ' ' LEU . 4.5 m-85 -77.82 131.8 37.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.595 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 14.2 m120 -102.36 50.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 104' ' ' GLU . 46.4 p -47.35 97.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 3.1 m-85 -86.28 -171.36 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.525 ' CG2' ' CB ' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -154.54 121.81 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.458 ' HB3' ' CE ' ' A' ' 81' ' ' MET . 59.5 p -39.74 95.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.51 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 4.6 tttm -55.02 -18.42 5.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.435 ' HG3' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -72.27 -19.04 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.513 ' CE1' ' O ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -163.93 65.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.604 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.525 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -86.5 -22.95 26.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.94 -15.22 20.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -102.56 -1.11 31.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.473 ' HA ' HD12 ' A' ' 112' ' ' ILE . 29.1 m120 64.02 46.05 3.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 45.3 m0 -91.73 102.37 14.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 107.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.612 ' CD2' HD13 ' A' ' 144' ' ' ILE . 12.2 m-85 -77.37 -176.44 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 4.0 p -124.07 91.86 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.412 ' HA3' ' C ' ' A' ' 143' ' ' ALA . . . -160.02 134.74 3.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.57 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -80.71 124.97 29.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.75 122.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.03 60.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.6 m-20 -160.68 -41.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 136.55 88.99 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 169.8 158.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 6.2 t -101.89 144.66 30.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.469 ' CD ' ' HB ' ' A' ' 137' ' ' THR . 0.0 OUTLIER -69.57 179.44 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -165.63 58.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 117.28 -137.43 13.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.476 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 18.4 Cg_endo -75.06 60.55 5.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.446 ' CB ' ' HG3' ' A' ' 132' ' ' LYS . 0.8 OUTLIER -130.86 3.69 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.602 ' C ' ' CG ' ' A' ' 138' ' ' HIS . 4.9 t -123.26 119.21 29.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.602 ' CG ' ' C ' ' A' ' 137' ' ' THR . 0.1 OUTLIER -163.99 -179.04 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.604 ' CD2' ' O63' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -53.13 -167.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.443 ' N ' ' O61' ' A' ' 178' ' ' NTS . . . 58.78 10.4 8.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.474 ' N ' ' H5 ' ' A' ' 178' ' ' NTS . 58.1 mt-30 -136.96 106.33 6.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.53 ' HD3' ' C3 ' ' A' ' 178' ' ' NTS . 1.6 mptp? -51.45 -14.84 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.472 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -51.1 -28.66 11.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.612 HD13 ' CD2' ' A' ' 122' ' ' PHE . 3.6 pt -78.66 -31.0 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.582 ' CD2' ' CD2' ' A' ' 108' ' ' TYR . 5.0 mp -65.83 106.0 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.571 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 6.0 m-85 -117.91 119.43 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.421 ' CD2' ' HD2' ' A' ' 148' ' ' PRO . 0.2 OUTLIER -108.85 105.96 57.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.421 ' HD2' ' CD2' ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.02 127.33 10.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.411 ' N ' ' HD3' ' A' ' 150' ' ' PRO . 1.2 pp -134.53 64.45 64.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.505 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 18.2 Cg_endo -75.02 172.58 16.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 2.1 m -163.81 36.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 15.3 t -41.99 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 46.1 t -171.16 73.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.604 ' O63' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -64.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 27' ' ' LEU . 6.9 tttt -176.98 145.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -136.68 102.96 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -68.12 167.57 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.769 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 24.6 t80 -162.65 152.15 15.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.611 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 46.8 m -82.66 157.54 23.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.575 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 28.9 t -68.22 -142.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.591 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -36.99 145.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.591 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 20.45 52.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.611 ' HA3' ' CB ' ' A' ' 30' ' ' CYS . . . -104.64 164.33 14.62 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.594 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 0.5 OUTLIER -101.09 -159.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.606 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.769 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 50.1 m-85 -134.72 101.62 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.574 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -41.55 163.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.46 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -154.55 158.77 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -127.88 108.57 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' CB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -88.02 141.35 31.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.98 7.95 2.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.91 -33.38 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.79 32.73 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.462 ' CB ' HD13 ' A' ' 40' ' ' LEU . 3.5 m -127.09 161.18 29.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.424 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -131.3 163.4 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' C ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER 177.97 -173.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' HA3' ' CD1' ' A' ' 125' ' ' LEU . . . -135.32 138.37 9.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.46 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.8 m -107.33 122.02 45.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -46.0 22.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 51' ' ' ARG . 4.7 m-20 -128.01 90.34 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.627 ' CG ' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -25.96 116.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 52' ' ' SER . 1.2 t 179.56 69.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . 6.3 t0 -136.76 -175.22 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.471 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -55.72 -44.85 77.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.509 ' CD2' ' OE1' ' A' ' 74' ' ' GLU . 25.2 m-70 -166.55 102.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.517 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 0.6 OUTLIER -110.7 -0.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 57' ' ' GLN . 7.1 mp0 -56.64 144.39 32.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 56' ' ' ILE . 1.7 mp -141.02 178.67 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' NE2' ' HD3' ' A' ' 26' ' ' LYS . 5.8 tp-100 -168.22 149.66 5.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.544 HD23 ' CE2' ' A' ' 111' ' ' TYR . 1.2 mt -105.53 166.66 10.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 69' ' ' TYR . 5.1 t -147.06 53.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.07 125.85 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.3 OUTLIER -116.07 -2.17 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.57 130.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -40.1 139.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.62 3.84 83.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 3.6 tt0 -164.56 106.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.438 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 33.2 m -127.43 168.38 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 11.1 m-85 -119.18 169.59 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 97.0 mt -145.59 128.99 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -136.0 106.86 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' GLU . 7.6 t -66.61 79.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.22 90.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.509 ' OE1' ' CD2' ' A' ' 55' ' ' HIS . 3.6 mm-40 -170.72 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.476 ' CG2' ' OE1' ' A' ' 77' ' ' GLN . 2.1 t -157.79 58.24 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 32.26 91.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.476 ' OE1' ' CG2' ' A' ' 75' ' ' THR . 0.0 OUTLIER -152.53 121.75 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 55.4 m-85 -106.51 106.64 17.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 8.4 tp -46.63 157.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.566 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -170.76 -169.76 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.458 ' CB ' ' HB2' ' A' ' 113' ' ' SER . 0.0 OUTLIER -155.74 88.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.457 ' O ' ' NE2' ' A' ' 116' ' ' HIS . 12.1 m-20 -46.57 165.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.569 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 2.5 m -56.65 -16.72 6.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 134' ' ' GLY . 3.1 m-20 -80.81 3.58 22.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.72 29.98 58.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 133' ' ' ARG . 5.4 tt -109.37 108.85 19.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' LEU . 2.5 mp -39.79 120.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -151.79 160.53 43.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.98 142.9 17.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -146.66 155.46 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.017 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.03 38.86 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.438 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.5 p -134.62 89.34 26.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -74.97 101.65 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.8 OUTLIER -157.68 -154.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.38 59.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' ASN . 6.1 tt0 -167.14 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.25 -23.27 60.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -71.39 175.54 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -153.71 121.71 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD1' ' HG3' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -62.56 99.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.566 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 3.4 tt0 -80.14 138.08 36.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -155.04 82.12 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.6 tp -29.93 99.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.526 ' CB ' ' OG1' ' A' ' 110' ' ' THR . 0.1 OUTLIER -58.84 -53.81 54.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -110.96 -106.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.625 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 4.3 t30 -147.83 39.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 21.6 m170 -165.09 -76.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.607 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.563 ' CD1' HD21 ' A' ' 147' ' ' LEU . 26.1 m-85 -45.34 171.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.616 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 71.1 m-20 -128.47 50.72 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.526 ' OG1' ' CB ' ' A' ' 104' ' ' GLU . 14.8 p -48.27 109.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.117 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.616 ' CE2' ' HB3' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -99.52 -170.55 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.595 HD12 ' CE1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -157.95 111.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.607 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 0.9 OUTLIER -32.46 98.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.496 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 10.6 tttm -58.45 -18.13 26.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HD3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -68.66 -9.81 52.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.607 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -177.16 69.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.616 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.505 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -93.99 14.79 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.32 -21.36 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -108.65 5.24 24.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER 66.13 23.91 10.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.576 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 35.3 m0 -60.62 83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.967 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.678 ' CZ ' ' CD1' ' A' ' 139' ' ' TYR . 8.9 m-85 -60.05 -172.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 3.3 p -126.65 101.21 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.478 ' HA3' ' C ' ' A' ' 143' ' ' ALA . . . -174.53 136.22 3.43 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.157 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.585 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -78.27 118.91 20.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 128' ' ' ASN . 16.0 tttt -24.39 118.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -62.43 60.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.652 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.4 m-20 -142.66 -45.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.594 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 139.99 57.27 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.59 150.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 13.0 t -92.86 161.57 14.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -123.4 177.89 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.471 ' HB3' ' CG ' ' A' ' 86' ' ' LEU . 11.6 ptt180 -143.59 128.06 17.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 87.79 -137.06 14.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.428 ' HA ' ' NE1' ' A' ' 121' ' ' TRP . 18.4 Cg_endo -74.98 72.64 4.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.47 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 1.4 mpt_? -155.27 23.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 122' ' ' PHE . 6.1 t -145.24 94.09 2.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.455 ' H ' ' NE2' ' A' ' 141' ' ' GLN . 21.8 m80 -136.66 -174.03 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.596 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.678 ' CD1' ' CZ ' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -56.52 -156.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.949 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 39.54 26.99 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.437 1.086 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.547 ' O ' ' N ' ' A' ' 143' ' ' ALA . 47.0 mt-30 -139.81 95.89 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 0.796 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.531 ' HG3' ' C4 ' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -39.04 -24.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 141' ' ' GLN . . . -49.35 -41.43 38.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.497 ' CG2' ' HB3' ' A' ' 122' ' ' PHE . 10.8 pt -68.33 -34.28 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 8.0 mp -76.7 112.16 12.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 11.5 m-85 -116.58 119.76 36.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -103.27 107.1 54.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.16 13.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.8 pp -131.72 66.56 78.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.491 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 167.86 26.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -171.76 54.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 16.7 t -53.63 89.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 151' ' ' VAL . 41.4 t -137.91 59.71 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.642 ' O62' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -74.96 119.1 5.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER 167.63 138.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.213 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.4 ' CD1' ' O ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -167.71 115.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD23 ' HB3' ' A' ' 146' ' ' PHE . 0.8 OUTLIER -67.48 -173.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.785 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 7.6 t80 179.39 152.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.636 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 67.7 m -77.14 157.49 30.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.8 t -71.87 -106.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.04 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.77 ' O ' ' N ' ' A' ' 34' ' ' GLY . 27.0 t30 -38.76 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 16.65 44.93 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.77 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -74.47 -151.33 2.38 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.648 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 1.3 m80 -107.7 176.9 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.785 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 24.3 m-85 -116.52 104.72 11.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.56 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -34.95 149.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.462 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -149.08 132.03 16.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -110.49 112.27 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.12 142.62 36.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.98 8.68 2.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.79 -28.96 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.4 18.06 5.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.472 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.1 m -122.11 134.18 54.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 110.405 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.63 166.72 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.545 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -177.96 -163.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.62 128.3 2.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.473 ' C ' ' HB3' ' A' ' 35' ' ' HIS . 1.1 m -98.76 124.19 43.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 110.366 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.452 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 17.6 ptt-85 -38.23 -53.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 51' ' ' ARG . 23.6 m-20 -131.3 107.15 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.607 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -24.28 111.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' A' ' 52' ' ' SER . 1.5 t -161.88 60.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.539 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -135.35 -169.09 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.587 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -84.04 -38.47 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.587 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -155.33 100.98 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.539 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -121.38 5.18 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 72.0 mt-30 -60.43 169.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 14.8 mt -153.27 176.88 11.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.03 117.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.452 ' CD1' ' OH ' ' A' ' 111' ' ' TYR . 7.6 mt -80.16 154.24 28.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -144.89 47.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.973 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.495 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -38.2 124.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.59 -9.59 17.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.39 -163.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.425 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -90.68 154.45 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 50.18 27.47 11.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 65' ' ' VAL . 1.5 pt-20 -178.27 127.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.495 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 14.6 m -141.06 166.25 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.602 ' CE2' ' SG ' ' A' ' 97' ' ' CYS . 23.9 m-85 -119.97 105.76 11.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.3 mt -90.26 136.1 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.4 136.68 41.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.461 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 29.6 t -89.67 78.66 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 73' ' ' THR . 15.3 t -64.1 84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 179.32 -44.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.439 ' CG2' ' CG2' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -114.6 -29.24 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.426 ' HA2' ' NZ ' ' A' ' 71' ' ' LYS . . . 97.68 80.48 1.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.21 151.94 19.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 74.2 m-85 -120.46 111.83 18.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tp -44.6 131.57 6.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 97' ' ' CYS . . . -156.26 168.48 27.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.437 ' CE ' ' O ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -142.18 116.65 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.589 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 56.3 m-20 -74.83 174.11 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.433 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 1.7 p -57.35 -16.67 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.35 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.53 9.15 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.496 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 51.23 20.7 5.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -96.56 103.61 15.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.478 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 4.7 mp -38.64 132.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.589 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -162.1 159.2 25.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.053 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -120.26 155.52 16.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.64 159.33 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.491 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 7.7 tt0 -79.56 3.97 17.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.6 p -114.87 89.89 20.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.444 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -75.03 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 3.0 m-80 -147.18 -173.87 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.78 -27.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 94' ' ' ASN . 50.9 tt0 -73.9 -45.9 47.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.602 ' SG ' ' CE2' ' A' ' 69' ' ' TYR . 2.4 p -67.81 -32.94 73.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.579 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -51.65 169.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.46 97.56 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -42.97 105.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -118.22 146.92 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -139.21 -90.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 178.41 119.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.524 ' OE1' ' CG ' ' A' ' 105' ' ' GLU . 7.3 tm-20 -92.31 -41.25 10.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.524 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -130.37 -98.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.616 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 15.7 t-20 -161.94 36.12 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 21.4 m170 -165.16 -69.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CD2' HD21 ' A' ' 145' ' ' LEU . 24.4 m-85 -51.35 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.607 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 27.7 m120 -151.36 76.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.505 ' CG2' HG13 ' A' ' 144' ' ' ILE . 72.8 p -68.06 98.4 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 13.5 m-85 -79.21 -175.8 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.581 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -166.53 128.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.532 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 8.9 t -34.79 109.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.047 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.457 ' HG2' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -75.01 -28.35 60.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.47 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -67.28 -9.73 43.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.532 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -179.96 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.576 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.468 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -83.08 -3.76 57.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.03 -17.96 55.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -102.29 -0.9 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 68.87 15.63 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 39.1 m0 -49.26 110.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 24.1 m-85 -93.3 178.73 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 7.5 p -113.9 12.24 8.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -84.54 101.54 2.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.596 ' O ' ' C ' ' A' ' 126' ' ' LYS . 1.2 mp -58.82 120.14 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.626 ' O ' ' N ' ' A' ' 128' ' ' ASN . 6.0 tttt -24.51 116.87 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.56 60.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.626 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.1 t-20 -140.77 -43.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.648 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 135.63 56.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 129' ' ' GLY . 2.1 m 168.48 144.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 13.7 t -69.9 162.14 28.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.34 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.491 ' CD ' ' HB3' ' A' ' 136' ' ' ARG . 1.2 mttp -129.52 145.36 51.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.73 170.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.608 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -44.43 -60.91 3.45 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CD ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -74.98 52.62 3.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 135' ' ' PRO . 1.0 OUTLIER -164.93 28.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 6.8 p -142.15 98.17 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.444 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -141.99 175.2 9.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.617 ' CE2' ' O61' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -54.36 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.014 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.533 ' N ' ' O62' ' A' ' 178' ' ' NTS . . . 64.18 4.34 11.63 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.48 ' C ' ' N ' ' A' ' 143' ' ' ALA . 3.9 mp0 -131.04 105.08 7.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 0.805 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.555 ' HG2' ' C10' ' A' ' 178' ' ' NTS . 1.8 mmtt -53.1 -12.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.48 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -50.56 -36.18 33.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.567 HD11 ' CE2' ' A' ' 122' ' ' PHE . 3.0 pt -72.38 -30.92 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.573 HD21 ' CD2' ' A' ' 108' ' ' TYR . 6.8 mt -67.81 113.34 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 3.2 m-85 -117.77 116.9 27.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 149' ' ' LEU . 1.3 tm? -106.13 104.27 48.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.12 29.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.456 ' N ' ' HD3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -135.13 62.46 51.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.502 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.02 177.16 8.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -177.47 44.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.9 t -42.25 104.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 31.2 t -173.19 71.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.617 ' O61' ' CE2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 137.69 21.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.533 ' CE ' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -170.25 146.33 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.533 ' N ' ' CE ' ' A' ' 26' ' ' LYS . 1.3 pp -153.83 123.62 6.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.436 ' HG ' ' NZ ' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -69.66 153.4 43.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.564 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 41.4 t80 -139.68 118.23 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 137.64 58.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 108.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.448 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 29.4 t -46.15 -87.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 33' ' ' GLY . 2.7 t30 -73.32 -63.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -33.24 -38.47 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.566 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 64.41 9.01 34.63 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.5 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 19.9 m80 -73.38 152.47 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 0.81 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CE1' ' HA ' ' A' ' 50' ' ' ASP . 19.8 m-85 -120.11 104.1 9.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.578 HD13 ' CZ ' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -46.63 164.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.453 ' NH2' ' CG ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -145.64 -177.75 5.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.465 HG22 ' CB ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -156.25 139.16 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -111.85 144.17 30.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.98 3.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -91.55 -49.2 6.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.45 48.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -141.41 168.61 19.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 110.373 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 1.8 t -146.2 168.19 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 176.41 -169.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.62 172.19 21.69 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.452 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 32.0 m -154.69 123.51 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.43 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -38.46 -43.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.577 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -142.61 124.48 15.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.47 123.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -179.67 68.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.453 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 5.4 t0 -144.72 -175.96 4.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 55' ' ' HIS . 3.5 pm0 -60.5 -40.11 90.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.424 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 6.1 m-70 -171.03 104.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.45 8.64 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 73' ' ' THR . 32.3 mt-30 -45.16 153.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 37' ' ' LEU . 18.1 mt -156.25 172.18 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -178.46 132.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -98.56 163.84 12.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 2.5 t -145.12 56.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.474 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -44.01 128.52 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -118.39 -2.69 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.519 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 158.65 142.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.17 138.89 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 67.75 14.74 65.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.519 ' O ' ' O ' ' A' ' 64' ' ' SER . 1.9 tt0 -164.13 103.91 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.768 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.495 ' O ' ' CD2' ' A' ' 98' ' ' LEU . 32.7 m -133.23 170.78 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.546 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 14.1 m-85 -123.2 168.46 12.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 96.1 mt -145.52 127.18 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.27 103.85 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.465 ' CB ' HG22 ' A' ' 39' ' ' ILE . 1.5 t -64.36 74.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 73' ' ' THR . 13.8 t -45.8 94.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' SER . 2.0 tm-20 166.88 -36.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.9 p -97.56 -102.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.67 39.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.77 -177.14 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 36.3 m-85 -131.53 129.3 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 6.9 tp -45.65 161.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.558 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -178.81 175.47 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.38 113.22 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.534 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 66.3 m-20 -71.71 178.04 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.46 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 33.5 p -58.42 -15.66 11.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -85.9 -6.83 59.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.506 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 67.79 14.19 64.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -90.08 106.81 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 6.6 mp -39.15 123.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 3.4 p90 -148.24 146.14 28.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.84 153.73 31.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.06 133.01 18.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.68 2.88 18.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.454 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 11.5 p -116.09 92.46 35.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.449 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.0 101.45 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -157.19 -152.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.75 68.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.466 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 11.0 tt0 179.95 -43.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -79.77 -25.65 40.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 108.3 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.546 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -60.52 177.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -154.24 119.04 4.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -66.59 100.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -83.54 165.58 18.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.35 81.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 102' ' ' ARG . 3.6 tp -29.56 94.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 102' ' ' ARG . 3.6 tm-20 -60.32 -49.88 75.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.2 tt0 -110.35 -105.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.579 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 42.3 p-10 -150.35 43.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 7.9 m170 -177.16 -58.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.575 ' CE2' HD11 ' A' ' 145' ' ' LEU . 9.6 m-85 -64.15 150.37 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 7.8 m-20 -117.86 65.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.537 ' CG2' HG13 ' A' ' 144' ' ' ILE . 69.7 p -53.78 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.488 ' CE1' HG22 ' A' ' 68' ' ' VAL . 5.2 m-85 -80.09 -170.74 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.556 HD12 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -161.25 144.91 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.564 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 30.4 t -55.35 88.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.482 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 1.6 tttm -56.17 -24.76 43.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.564 ' HE3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.38 -14.85 58.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.564 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.97 72.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.602 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 112' ' ' ILE . . . -82.21 -1.23 48.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.67 -18.1 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.8 OUTLIER -110.33 7.14 22.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER 61.1 23.8 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 31.3 m0 -55.6 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.556 ' CE2' HD12 ' A' ' 112' ' ' ILE . 6.0 m-85 -74.33 -170.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 111' ' ' TYR . 4.5 p -131.85 99.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -152.35 159.31 28.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -115.76 121.12 41.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 128' ' ' ASN . 0.0 OUTLIER -35.6 131.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -68.05 58.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 126' ' ' LYS . 11.1 m120 -150.8 -45.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 138.09 74.65 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.9 140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.975 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 166.86 5.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 108.275 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 136' ' ' ARG . 11.5 tttt -106.99 154.0 21.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 135' ' ' PRO . 0.0 OUTLIER -96.4 152.05 18.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -43.71 -51.38 6.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -75.06 49.13 2.19 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.1 OUTLIER 169.39 38.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -121.89 73.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.472 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 3.5 m80 -138.12 139.05 39.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.175 . . . . 0.0 109.592 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.635 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 13.9 p90 -68.68 -177.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 160.02 -32.59 0.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.538 ' HB2' ' C10' ' A' ' 178' ' ' NTS . 0.6 OUTLIER -123.41 -77.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.413 ' CG ' ' O32' ' A' ' 178' ' ' NTS . 0.0 OUTLIER 173.84 39.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.516 ' HB1' ' C4 ' ' A' ' 178' ' ' NTS . . . -91.28 6.87 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.635 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 0.8 OUTLIER -120.44 -23.17 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 108' ' ' TYR . 4.7 mt -50.63 92.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.578 ' CZ ' HD13 ' A' ' 37' ' ' LEU . 1.9 m-85 -95.54 123.92 39.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.33 103.02 46.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.56 19.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.416 HD23 ' CD1' ' A' ' 27' ' ' LEU . 1.7 pp -125.87 79.39 68.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.488 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.97 164.97 32.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 1.6 m -164.06 49.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.8 t -75.49 88.2 2.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.4 t -113.24 75.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.538 ' C10' ' HB2' ' A' ' 141' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 84.55 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 4.1 tptt 178.09 128.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.516 ' CD1' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -162.28 123.84 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -88.36 177.24 6.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.672 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 9.6 t80 -175.44 159.66 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.596 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 61.5 m -80.38 120.73 24.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.314 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 52.3 p -30.04 -91.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.652 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.5 t30 -52.5 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.431 ' H ' ' ND2' ' A' ' 32' ' ' ASN . . . -61.89 53.33 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -89.31 -149.95 21.73 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 1.7 m80 -110.71 -172.72 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.632 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 32.1 m-85 -123.0 100.16 6.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -34.6 148.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.515 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 3.8 ptp180 -149.11 146.72 27.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.426 HG22 ' CB ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -122.82 117.74 52.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -88.07 141.92 31.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 7.83 2.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.2 -28.94 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.35 18.93 5.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.481 ' CB ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.23 141.99 50.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 110.38 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.431 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 2.3 t -112.48 169.15 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' C ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER 173.61 -171.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.66 145.17 16.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.515 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 3.3 m -121.76 126.36 48.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 12.5 ttm180 -38.6 -34.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -148.9 117.91 6.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.38 120.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.5 p -179.16 68.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 4.4 t0 -140.67 -174.37 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.456 ' NE2' ' CG ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -57.82 -39.09 76.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 2.4 m-70 -173.99 106.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.438 ' HB ' ' CB ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -107.89 14.42 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -49.99 149.9 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.518 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -147.52 167.64 23.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -174.14 127.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.571 HD23 ' CE2' ' A' ' 111' ' ' TYR . 1.8 mt -93.93 162.42 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.447 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.1 t -144.44 51.61 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.484 ' CB ' HG13 ' A' ' 68' ' ' VAL . . . -39.01 125.95 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -117.35 -1.66 11.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.63 127.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -38.89 144.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.22 5.46 76.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 3.0 tt0 -170.59 105.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.504 ' CG1' ' HB2' ' A' ' 101' ' ' GLU . 34.3 m -125.44 169.47 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 17.1 m-85 -117.39 167.93 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 95.1 mt -146.66 128.71 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -132.45 103.57 6.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' GLN . 6.0 t -63.01 78.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 73' ' ' THR . 1.6 t -51.46 110.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.519 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 18.5 tp10 165.58 -42.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 76' ' ' GLY . 1.5 t -152.87 50.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.395 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.29 85.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -142.77 127.05 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.32 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 41.0 m-85 -110.06 106.8 16.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 5.6 tp -50.67 146.5 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.564 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -163.56 -174.54 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.502 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -151.99 116.59 5.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -77.58 178.23 7.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.588 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 21.6 m -57.73 -16.29 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -89.92 10.7 22.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 47.93 23.03 2.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -94.88 104.6 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 123' ' ' VAL . 3.1 mp -39.83 124.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 4.9 p90 -148.19 169.12 20.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -116.25 146.35 18.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 145.45 33.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -78.83 2.8 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 p -116.57 94.24 42.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 100.24 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.8 m-80 -137.11 -174.27 3.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' ASN . 1.2 mp0 -36.51 -33.4 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 94' ' ' ASN . 7.4 tt0 -65.25 -65.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.7 t -47.57 -36.53 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.326 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.563 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 2.8 mt -52.27 172.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -154.81 112.29 3.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 111.075 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -49.52 103.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.504 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 1.1 tt0 -87.53 141.44 28.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.629 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -162.13 67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -21.01 95.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -50.28 -54.86 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.6 tt0 -113.11 -102.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.543 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.6 t30 -143.78 40.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.4 m170 179.85 -47.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.544 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 2.4 m-85 -71.55 113.49 8.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 7.8 m120 -89.91 49.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 104' ' ' GLU . 1.1 p -40.67 99.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.571 ' CE2' HD23 ' A' ' 60' ' ' LEU . 5.1 m-85 -88.62 174.15 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.59 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -155.68 132.42 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.562 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 15.7 t -36.19 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.497 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 1.9 tmtm? -67.23 -26.08 66.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.484 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -65.63 -11.64 46.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.562 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -179.92 70.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.83 -3.3 53.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -61.2 -19.23 61.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 3.8 mttt -101.91 -1.02 32.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.543 ' O ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 68.87 15.28 8.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.588 ' CH2' ' O ' ' A' ' 83' ' ' THR . 45.3 m0 -51.15 109.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 108.046 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 29.5 m-85 -90.17 -176.59 4.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 7.5 p -117.71 22.98 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.501 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -98.02 111.71 4.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.6 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -63.3 114.69 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 128' ' ' ASN . 3.7 tmtt? -23.01 112.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.524 ' CE ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -60.91 62.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.682 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -137.02 -41.51 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.51 50.31 0.1 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 131' ' ' CYS . 1.6 t 169.52 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 110.02 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . 0.416 ' O ' ' CD ' ' A' ' 132' ' ' LYS . 2.5 t -48.11 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.5 mptt -141.66 158.89 43.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 135' ' ' PRO . 27.0 ptt180 -85.28 164.22 18.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.576 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.15 -58.03 1.05 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.4 Cg_endo -74.96 58.97 5.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 177.28 37.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.432 ' CG2' ' C ' ' A' ' 136' ' ' ARG . 3.6 p -149.31 101.22 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.579 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -143.92 -178.83 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.614 ' CD2' ' O62' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -54.97 -159.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 44.25 19.42 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.142 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 143' ' ' ALA . 12.4 mt-30 -128.61 84.92 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.239 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.552 ' HG2' ' C4 ' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -33.74 -28.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 141' ' ' GLN . . . -45.7 -41.82 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.583 HD13 ' CE2' ' A' ' 122' ' ' PHE . 18.1 pt -69.3 -34.16 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.55 HD13 ' C6 ' ' A' ' 178' ' ' NTS . 11.5 mt -70.44 111.81 6.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.605 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 6.4 m-85 -116.77 135.81 53.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.93 102.64 19.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.6 18.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.405 ' N ' ' HD3' ' A' ' 150' ' ' PRO . 1.5 pp -132.78 64.57 71.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 149' ' ' LEU . 18.3 Cg_endo -75.06 -169.37 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -161.35 28.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.5 t -41.65 102.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 30.7 t -144.41 77.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.982 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.614 ' O62' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.0 mttt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HE3' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -177.29 145.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.514 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 1.2 pp -149.24 109.97 4.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.7 OUTLIER -63.57 171.31 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 9.0 t80 -165.36 143.23 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.649 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 10.9 m -77.54 149.58 34.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.649 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -55.39 -163.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.649 ' N ' ' OG ' ' A' ' 31' ' ' SER . 1.9 m-20 -35.5 146.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 34.99 53.99 0.87 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA3' ' CB ' ' A' ' 30' ' ' CYS . . . -123.65 164.58 16.74 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.582 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 2.0 m80 -104.48 176.53 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 82.6 m-85 -109.85 98.52 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -39.0 132.05 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.506 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 4.5 ptp180 -124.93 173.64 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.99 143.33 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.436 HD21 ' CB ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -111.65 145.19 32.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.87 6.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.22 -55.81 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.37 44.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -137.62 168.68 19.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.481 ' N ' ' CG2' ' A' ' 44' ' ' THR . 0.2 OUTLIER -148.04 159.76 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 175.86 -173.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.71 144.56 16.56 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 4.2 m -116.89 126.64 53.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 110.411 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.579 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -37.52 -36.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -146.61 120.04 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.592 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.8 114.75 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 52' ' ' SER . 8.8 p -172.52 65.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.506 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.1 t0 -137.07 -175.15 3.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.512 ' CD ' ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -72.11 -17.85 61.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.606 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 1.5 m-70 175.03 110.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.94 19.3 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -67.92 152.93 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 79' ' ' LEU . 1.1 mp -147.91 -173.64 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.52 136.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.898 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.1 161.81 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 61' ' ' SER . 5.1 t -145.44 53.55 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.053 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.511 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.35 126.41 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.99 1.9 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 172.66 172.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -73.23 149.73 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' A' ' 101' ' ' GLU . . . 49.42 21.19 2.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 64' ' ' SER . 3.4 tt0 -163.59 109.18 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.511 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 20.8 m -133.67 165.6 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 8.4 m-85 -107.14 178.22 4.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' A' ' 69' ' ' TYR . 21.3 mt -156.33 127.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -133.5 107.92 8.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' GLN . 2.0 t -57.83 83.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 73' ' ' THR . 13.8 t -59.32 82.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.606 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 9.0 tp10 -164.08 -53.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 76' ' ' GLY . 1.8 t -148.53 63.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 35.56 92.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -154.14 141.15 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 93' ' ' PRO . 29.0 m-85 -122.62 109.37 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 4.7 tp -51.52 139.72 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.542 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -162.63 178.54 8.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.422 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -140.92 116.11 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -72.78 170.76 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.444 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 5.1 m -56.68 -17.14 7.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.19 2.1 29.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.427 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 60.38 19.05 52.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -102.53 109.77 21.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.774 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' CD1' HG21 ' A' ' 123' ' ' VAL . 0.2 OUTLIER -39.48 129.18 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 2.9 p90 -149.65 170.48 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -112.56 159.03 13.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.32 140.28 19.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 110.042 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -74.82 -1.65 23.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.9 p -116.16 90.94 30.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.468 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.0 97.08 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.54 1.811 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.401 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.2 OUTLIER -130.53 -156.7 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -48.53 -34.31 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.497 ' OE2' ' CD ' ' A' ' 115' ' ' LYS . 7.9 tt0 -64.42 -68.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.1 t -41.8 -45.91 3.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 108.306 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 5.1 mt -44.9 167.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -146.01 112.56 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.38 99.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.549 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -83.43 174.19 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.546 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER 177.07 82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.546 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.2 OUTLIER -27.99 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -68.4 -37.04 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.2 tt0 -124.46 -107.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.584 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 8.5 t30 -152.29 37.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 17.2 m170 -169.44 -71.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.639 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.645 ' CG ' ' HB3' ' A' ' 145' ' ' LEU . 25.9 m-85 -49.24 -178.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.632 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 88.1 m-20 -148.54 78.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.61 ' CG2' HG13 ' A' ' 144' ' ' ILE . 73.2 p -68.86 96.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.632 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 10.5 m-85 -79.79 178.3 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.553 ' CG2' ' CB ' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -155.71 129.67 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 112' ' ' ILE . 7.6 t -35.86 102.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.4 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 12.6 tttm -68.96 -39.26 79.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.497 ' CD ' ' OE2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -53.55 -20.77 5.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.435 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -172.91 73.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.55 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.553 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -86.04 -4.91 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.41 -14.09 25.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -107.72 1.09 22.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER 65.38 23.39 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 38.7 m0 -59.35 89.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.01 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.624 ' CE2' HD11 ' A' ' 144' ' ' ILE . 11.0 m-85 -66.89 -173.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.588 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 7.7 p -123.37 21.89 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.431 ' O ' ' HG ' ' A' ' 125' ' ' LEU . . . -82.0 -176.2 51.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -147.31 116.64 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.737 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 128' ' ' ASN . 35.2 tttt -37.37 128.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.534 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.88 58.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 126' ' ' LYS . 15.2 m120 -132.29 -43.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.582 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 131.49 60.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 131' ' ' CYS . 2.1 m 169.72 134.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.746 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 130' ' ' SER . 2.0 t -47.78 172.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 108.297 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -116.17 145.35 43.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.503 ' O ' ' CG2' ' A' ' 137' ' ' THR . 0.0 OUTLIER -78.66 151.51 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.937 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.512 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -34.97 -67.24 0.29 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.95 54.39 3.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 4.2 mtt180 -175.88 33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 2.2 p -136.31 103.78 5.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.429 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -157.12 136.9 12.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.632 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.653 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 6.3 p90 -65.23 -175.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.489 ' N ' ' CD2' ' A' ' 139' ' ' TYR . . . 154.52 -21.89 0.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.556 ' HB3' ' C4 ' ' A' ' 178' ' ' NTS . 1.4 mp0 -134.05 -76.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 141' ' ' GLN . 0.0 OUTLIER 169.59 52.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.516 ' CB ' ' C5 ' ' A' ' 178' ' ' NTS . . . -110.88 20.42 17.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.653 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 0.7 OUTLIER -130.65 -26.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.645 ' HB3' ' CG ' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -55.77 99.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.649 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 2.8 m-85 -89.29 120.4 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -104.14 104.24 42.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -74.97 135.84 19.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 149' ' ' LEU . 2.7 pp -132.12 74.3 76.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.49 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.98 164.92 32.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -173.97 62.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.9 t -62.18 80.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 151' ' ' VAL . 12.5 t -128.28 61.98 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.966 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 179.986 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.556 ' C4 ' ' HB3' ' A' ' 141' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' HZ1' ' CD2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.4 Cg_endo -74.97 -26.48 10.94 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -108.91 149.82 28.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 2.5 pp -176.17 146.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.48 170.24 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -154.7 127.27 7.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -75.88 120.73 21.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.48 ' OG ' ' CZ ' ' A' ' 108' ' ' TYR . 3.7 t -37.86 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' GLY . 2.9 m120 -99.85 -37.16 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -36.17 -40.32 0.38 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' ARG . . . 74.31 0.38 57.2 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -96.43 159.28 15.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.636 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 87.1 m-85 -116.79 103.65 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -37.77 132.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 1.4 ptp180 -135.96 160.37 38.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.49 ' CG2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -156.88 152.12 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 44' ' ' THR . 0.4 OUTLIER -113.74 139.73 23.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.494 ' CD ' ' OE1' ' A' ' 54' ' ' GLN . 18.3 Cg_endo -75.01 4.94 4.3 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.0 -43.0 11.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.83 44.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 40' ' ' LEU . 2.0 m -142.73 162.21 36.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -151.01 161.19 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.94 -171.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' ' 125' ' ' LEU . . . -125.9 166.32 18.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 26.7 m -143.94 124.42 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.6 OUTLIER -46.99 -25.06 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.537 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -152.15 128.81 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -52.96 115.54 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -178.02 68.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.505 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 1.5 t0 -141.41 -175.32 4.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.576 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -57.18 -36.19 70.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.576 ' N ' HE21 ' A' ' 54' ' ' GLN . 0.6 OUTLIER -179.49 108.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.574 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -111.28 26.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.4 ' NE2' ' H ' ' A' ' 26' ' ' LYS . 14.3 mt-30 -78.15 124.96 28.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 37' ' ' LEU . 1.3 mp -138.7 115.07 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.44 ' NE2' ' HD3' ' A' ' 26' ' ' LYS . 10.8 tp-100 -105.74 158.19 16.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -107.49 163.45 13.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 61' ' ' SER . 3.0 t -149.96 52.61 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.491 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -44.51 128.98 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -121.98 0.82 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.519 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 161.78 151.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.9 m -57.97 137.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.416 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 72.02 6.1 63.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.545 1.153 . . . . 0.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.519 ' O ' ' O ' ' A' ' 64' ' ' SER . 3.0 tt0 -156.75 101.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 21.7 m -131.55 166.55 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.574 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 24.3 m-85 -117.69 167.84 10.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 60' ' ' LEU . 94.2 mt -144.13 122.46 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.19 130.38 55.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.504 ' O ' ' C ' ' A' ' 73' ' ' THR . 23.3 t -76.09 69.63 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.504 ' C ' ' O ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -29.14 95.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.405 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.531 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 2.0 tm-20 176.18 -70.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -127.34 59.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 30.54 62.84 0.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 0.0 OUTLIER -99.71 -165.47 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.416 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 32.7 m-85 -161.06 122.48 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.69 138.45 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -152.79 174.9 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ttm -137.49 119.53 15.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.2 175.43 6.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.597 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 37.6 m -56.41 -17.88 9.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -90.02 13.04 15.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.502 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 50.9 20.69 4.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -94.05 103.48 15.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 8.0 mp -38.18 126.86 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.523 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 4.5 p90 -148.53 158.66 44.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.25 145.19 17.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.78 135.09 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.0 41.5 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.8 p -143.57 90.54 7.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.453 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.96 95.42 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.453 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -160.46 -152.99 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -65.58 72.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 94' ' ' ASN . 9.6 tt0 179.88 -58.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 1.3 t -63.66 -35.96 82.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.27 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 2.8 mt -45.83 170.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.14 99.62 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.541 ' CD1' ' CB ' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -48.2 100.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.473 ' CB ' HG23 ' A' ' 68' ' ' VAL . 4.2 tm-20 -118.95 159.17 24.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.42 ' O ' ' OE2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -151.7 -93.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 102' ' ' ARG . 4.2 tp -176.45 119.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.501 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 13.2 tm-20 -95.68 -35.57 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.515 ' HG2' ' CE1' ' A' ' 107' ' ' HIS . 2.0 tt0 -130.17 -114.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 1.4 t-20 -137.8 30.13 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.519 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -170.12 -66.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.596 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.581 ' CD2' HD12 ' A' ' 145' ' ' LEU . 7.1 m-85 -38.82 159.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 11.4 m120 -132.37 68.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 104' ' ' GLU . 70.0 p -60.27 99.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 15.6 m-85 -79.53 -178.15 6.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.578 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 19.2 mt -156.97 134.69 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.597 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 8.3 t -48.36 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -55.36 -40.19 70.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -20.91 5.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.597 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -168.02 71.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.583 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.541 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -87.35 -8.29 56.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -58.79 -15.58 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.9 OUTLIER -108.01 3.33 23.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.4 OUTLIER 61.39 30.81 19.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.1 m0 -64.44 86.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 108.034 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.578 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 15.3 m-85 -71.13 -175.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 14.3 p -125.04 108.56 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -157.52 164.17 32.9 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 126' ' ' LYS . 1.5 mt -119.21 118.58 31.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ASN . 8.4 tttt -33.81 131.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.532 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -68.08 59.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -154.85 -44.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.942 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 136.67 78.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.53 151.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 163.38 25.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.34 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.19 157.38 16.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 149.24 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.621 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -43.33 -53.01 5.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.4 Cg_endo -75.03 49.01 2.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.99 39.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -122.52 61.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.482 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 2.4 m80 -126.92 135.8 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.637 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.616 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 11.9 p90 -66.26 -178.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 159.44 -28.68 0.38 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.551 ' HB2' ' C10' ' A' ' 178' ' ' NTS . 0.5 OUTLIER -124.44 -82.22 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 110.249 -179.935 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.415 ' O ' ' O33' ' A' ' 178' ' ' NTS . 0.0 OUTLIER 174.83 41.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.513 ' HB3' ' C4 ' ' A' ' 178' ' ' NTS . . . -95.56 8.35 43.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.616 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 0.9 OUTLIER -120.87 -22.78 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.581 HD12 ' CD2' ' A' ' 108' ' ' TYR . 7.1 mt -51.9 103.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -108.67 118.49 36.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.63 103.64 54.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.403 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.3 Cg_endo -75.01 138.91 23.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.489 ' O ' ' CD1' ' A' ' 149' ' ' LEU . 3.2 pp -124.77 73.45 63.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.502 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.99 163.94 34.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -173.54 54.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.1 t -61.69 80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 151' ' ' VAL . 12.5 t -133.92 58.16 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.551 ' C10' ' HB2' ' A' ' 141' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 24.8 mttp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.5 Cg_endo -74.96 -62.49 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -109.4 146.31 34.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.465 HD23 ' CZ ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -137.69 116.67 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.514 HD23 ' CG ' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -91.13 154.36 19.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.563 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 71.9 t80 -144.64 132.98 21.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.592 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -96.08 105.04 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 53.6 p -35.14 -71.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.463 ' N ' ' OG ' ' A' ' 31' ' ' SER . 1.4 t-20 -60.63 120.01 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.56 ' HA3' ' CE1' ' A' ' 35' ' ' HIS . . . 81.75 -10.82 49.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.563 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 48.47 37.49 19.26 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' ' HA3' ' A' ' 33' ' ' GLY . 77.1 m80 -78.93 154.89 29.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.486 ' O ' ' C ' ' A' ' 37' ' ' LEU . 94.7 m-85 -121.12 97.8 5.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 1.0 OUTLIER -33.72 147.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.458 ' NH2' ' CG ' ' A' ' 53' ' ' ASP . 7.6 ptp180 -143.68 131.68 21.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.486 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -110.18 111.35 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' CB ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.86 141.8 33.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 8.98 2.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.447 1.761 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -29.29 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.02 17.05 5.54 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.473 ' CB ' HD11 ' A' ' 40' ' ' LEU . 1.1 m -119.7 137.7 53.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 110.373 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 2.3 t -116.22 169.53 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.451 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.43 -171.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' HA3' ' CD1' ' A' ' 125' ' ' LEU . . . -127.52 154.85 19.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' PHE . 65.4 m -129.37 123.37 31.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -38.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.477 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 2.9 m-20 -144.28 125.45 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.8 103.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 p -155.21 56.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.473 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -129.08 -168.53 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.566 ' NE2' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -78.58 -41.25 32.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -159.21 101.55 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.614 179.941 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.504 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 1.2 pp -119.07 9.69 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' NE2' ' CD ' ' A' ' 74' ' ' GLU . 11.4 mp0 -58.35 152.76 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 37' ' ' LEU . 1.9 mp -145.21 178.17 8.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' OE1' ' CD ' ' A' ' 26' ' ' LYS . 3.7 tp-100 -177.88 153.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.498 ' CD1' ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -113.37 164.25 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.456 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.7 t -145.97 56.3 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.77 127.91 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.3 OUTLIER -118.93 -1.93 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.247 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.13 137.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.14 137.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.508 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 72.28 10.85 75.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.517 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 2.4 tt0 -163.5 104.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 110.26 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.464 ' CB ' ' HA ' ' A' ' 62' ' ' ALA . 27.7 m -130.3 167.33 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 8.9 m-85 -116.52 169.63 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.504 ' CD1' ' CD2' ' A' ' 99' ' ' PHE . 86.2 mt -146.91 125.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.605 ' HZ3' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -132.11 113.63 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.605 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 1.3 t -68.17 71.15 0.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 73' ' ' THR . 14.9 t -50.99 89.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 73' ' ' THR . 2.4 mm-40 159.45 -25.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.2 m -108.5 -29.51 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.81 15.61 57.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.458 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -112.82 -172.85 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 20.9 m-85 -132.46 149.11 52.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 39' ' ' ILE . 10.1 tp -86.64 114.65 23.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.563 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -137.14 169.4 17.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.01 98.92 4.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.563 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 44.0 m-20 -54.78 170.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.472 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 1.1 p -60.41 -14.21 17.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -72.8 -15.87 61.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' CA ' ' CZ3' ' A' ' 121' ' ' TRP . . . 79.5 15.17 80.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -113.23 114.22 26.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 123' ' ' VAL . 6.7 mp -40.22 134.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.1 p90 -151.02 170.74 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -88.5 147.77 20.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -146.12 113.37 6.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.985 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -0.38 20.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.444 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 11.1 p -116.43 94.6 43.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.459 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.98 100.79 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -158.27 -149.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -65.93 68.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' ASN . 8.4 tt0 179.86 -48.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -70.75 -37.33 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.543 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -47.63 173.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.504 ' CD2' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -148.76 101.2 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -55.38 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 111' ' ' TYR . 12.9 tm-20 -118.8 167.2 11.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -153.8 -89.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.284 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 179.24 125.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 22.5 tt0 -96.17 -33.41 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -130.11 -97.83 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.577 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 5.1 t30 -166.99 52.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 4.6 m170 -179.95 -62.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.604 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.592 ' CD2' ' CD1' ' A' ' 145' ' ' LEU . 9.7 m-85 -60.77 -172.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.501 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 6.0 m120 -153.59 84.33 1.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 104' ' ' GLU . 17.9 p -72.16 102.13 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.517 ' CD2' ' HB2' ' A' ' 101' ' ' GLU . 13.8 m-85 -78.98 -178.19 5.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.581 HD13 ' CE2' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -159.28 114.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 112' ' ' ILE . 23.8 p -33.01 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.517 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 4.2 tttm -55.76 -25.26 39.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.48 -4.81 58.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.743 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -148.29 31.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.602 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 113' ' ' SER . . . -66.69 -10.85 50.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.96 -22.16 53.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -108.32 3.63 23.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER 56.95 29.43 16.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.743 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 27.9 m0 -64.16 81.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CE2' HD13 ' A' ' 112' ' ' ILE . 13.0 m-85 -58.37 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.523 HG11 ' O ' ' A' ' 123' ' ' VAL . 13.1 p -121.11 109.48 25.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -163.13 150.63 19.67 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -105.34 125.46 51.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 128' ' ' ASN . 10.7 tttt -35.05 130.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 59.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 126' ' ' LYS . 10.3 m120 -156.55 -43.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 139.81 69.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.5 t 174.71 144.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.972 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.6 178.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.348 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -85.06 -155.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.675 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -156.65 100.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.675 ' C ' ' O ' ' A' ' 133' ' ' ARG . . . 2.44 -80.56 0.0 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ARG . 18.4 Cg_endo -74.95 58.5 4.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER 169.33 40.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.485 HG22 ' CA ' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -135.49 59.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.547 ' C ' ' O61' ' A' ' 178' ' ' NTS . 1.6 m80 -118.61 134.48 55.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.605 ' CB ' ' CD1' ' A' ' 144' ' ' ILE . 8.1 p90 -54.93 -167.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 131.35 -2.35 5.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.553 ' CD ' ' C4 ' ' A' ' 178' ' ' NTS . 25.9 mp0 -143.74 -101.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.43 ' O ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -165.06 23.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.621 ' HB2' ' S6 ' ' A' ' 178' ' ' NTS . . . -75.67 -6.09 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.605 ' CD1' ' CB ' ' A' ' 139' ' ' TYR . 1.6 pt -115.83 -12.06 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.592 ' CD1' ' CD2' ' A' ' 108' ' ' TYR . 4.1 tp -58.11 82.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.592 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 m-85 -89.07 121.31 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.56 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.8 OUTLIER -113.65 106.88 53.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.83 5.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.456 1.766 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.52 73.74 68.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.529 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -75.0 168.63 24.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 2.3 m -163.79 38.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' VAL . 11.2 t -37.78 97.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 151' ' ' VAL . 93.6 p -132.96 28.0 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.621 ' S6 ' ' HB2' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -159.05 138.33 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD23 ' CZ ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -146.34 118.74 8.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.7 OUTLIER -80.89 164.59 22.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 21.8 t80 -138.82 138.64 37.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 143' ' ' ALA . 0.1 OUTLIER -91.01 136.47 33.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 108.298 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.3 t -65.88 -73.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.449 ' ND2' ' O33' ' A' ' 178' ' ' NTS . 2.4 m-20 -78.64 136.57 37.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -18.21 39.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.511 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 64.7 9.65 40.05 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 27.5 m80 -56.26 168.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.61 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 51.6 m-85 -140.78 105.17 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -34.89 142.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 3.9 ptp180 -144.9 159.46 42.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.597 ' CD1' ' CD2' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -147.61 151.82 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 44' ' ' THR . 0.5 OUTLIER -109.38 143.14 27.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 3.98 5.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.08 -48.69 7.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.17 45.16 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 40' ' ' LEU . 1.5 m -143.16 166.07 25.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.54 ' CG1' ' CD1' ' A' ' 39' ' ' ILE . 1.0 OUTLIER -143.51 163.93 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 172.27 -171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.47 177.07 17.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.552 1.157 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.505 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 29.9 m -154.24 123.13 6.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.491 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -34.94 -40.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -143.41 124.66 14.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 2.8 ptt180 -47.18 119.49 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 179.98 69.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.497 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -141.14 -175.62 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.728 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 3.3 mp0 -51.86 -47.14 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 3.1 m-70 -169.42 103.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.513 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 1.3 pp -106.83 13.59 8.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -64.95 149.11 50.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -143.31 -172.97 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' HB2' ' CG2' ' A' ' 73' ' ' THR . 4.8 tp60 -177.27 134.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.527 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -97.53 161.12 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 t -144.39 51.54 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.07 126.0 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -115.76 -2.44 12.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER 159.35 132.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -41.14 137.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.61 -7.21 58.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.474 ' HG3' ' CE ' ' A' ' 114' ' ' LYS . 3.3 tt0 -151.21 104.76 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.461 ' O ' ' CD2' ' A' ' 98' ' ' LEU . 32.8 m -128.83 166.28 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.561 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 21.1 m-85 -120.23 167.35 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 96.8 mt -143.27 125.62 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.551 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -124.45 105.85 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 74' ' ' GLU . 8.8 t -55.91 86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.506 ' O ' ' CB ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -56.2 83.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 0.0 110.399 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.4 mm-40 159.84 -48.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.474 HG22 ' CG2' ' A' ' 39' ' ' ILE . 40.4 p -80.92 -11.77 59.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.18 4.74 37.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -102.0 -164.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 58.5 m-85 -131.54 159.5 38.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.597 ' CD2' ' CD1' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -89.7 154.56 19.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.549 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -173.54 174.28 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.584 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -136.26 96.54 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.575 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 58.4 m-20 -49.32 169.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.502 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 1.4 p -60.27 -14.03 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 21.07 3.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 44.9 25.02 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tt -104.34 108.06 19.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.1 mp -39.87 122.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -150.52 162.03 41.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 110.999 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -114.14 158.7 14.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.15 161.05 39.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -88.21 39.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.2 p -145.35 91.96 5.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 85.95 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.413 ' N ' HD21 ' A' ' 94' ' ' ASN . 2.2 m-80 -129.3 -175.05 3.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER -38.68 -34.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.239 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -64.83 -65.56 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -50.16 -28.86 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 69' ' ' TYR . 1.2 mt -64.73 168.25 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -145.26 100.63 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.13 101.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.477 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER -110.1 145.76 36.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -142.12 -94.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.76 121.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.493 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 3.9 tm-20 -95.93 -45.54 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 3.2 mm-40 -129.96 -103.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.557 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 2.2 t30 -161.78 42.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.557 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -162.94 -51.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.619 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.536 ' CE2' ' CD2' ' A' ' 145' ' ' LEU . 4.5 m-85 -81.57 -171.65 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.606 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 5.1 m120 -152.14 65.8 0.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 104' ' ' GLU . 41.2 p -48.53 121.22 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.606 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 3.0 m-85 -106.12 171.59 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.577 HD13 ' CE1' ' A' ' 122' ' ' PHE . 0.9 OUTLIER -150.63 120.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 17.1 t -37.6 102.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.474 ' CE ' ' HG3' ' A' ' 67' ' ' GLU . 20.0 tttm -59.72 -27.39 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.97 -26.06 68.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.608 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -155.59 64.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.627 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -89.28 -9.8 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.65 -7.58 45.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -111.77 -1.9 15.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.23 42.21 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 44.1 m0 -84.0 77.53 9.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.046 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.588 ' CE2' HD11 ' A' ' 144' ' ' ILE . 15.6 m-85 -54.52 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.569 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 12.6 p -117.09 22.0 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.478 ' HA3' ' CG2' ' A' ' 144' ' ' ILE . . . -88.26 104.39 3.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.521 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.5 OUTLIER -59.96 125.02 22.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -30.79 123.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.448 ' HD3' ' C ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.1 58.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.1 t-20 -141.41 -43.65 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.56 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 127.11 67.43 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.89 132.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . 0.504 ' SG ' ' CD2' ' A' ' 125' ' ' LEU . 0.6 OUTLIER -64.89 159.53 22.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.287 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -116.22 -179.41 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.36 140.45 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.4 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 62.2 -140.48 46.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.448 ' O ' ' NE ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.01 77.09 3.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.448 ' NE ' ' O ' ' A' ' 135' ' ' PRO . 0.4 OUTLIER -160.07 26.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.7 OUTLIER -152.36 92.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.438 ' CE1' ' H ' ' A' ' 137' ' ' THR . 0.6 OUTLIER -140.91 -170.41 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.564 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.642 ' CD2' ' O62' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -55.8 -160.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.72 7.22 20.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.515 ' C ' ' N ' ' A' ' 143' ' ' ALA . 39.9 mt-30 -138.58 100.25 4.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER -49.13 -14.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.515 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -49.56 -27.18 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.588 HD11 ' CE2' ' A' ' 122' ' ' PHE . 5.2 pt -73.6 -30.0 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.536 ' CD2' ' CE2' ' A' ' 108' ' ' TYR . 10.7 mp -68.77 85.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.44 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 4.8 m-85 -91.32 119.31 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.46 HD22 ' CB ' ' A' ' 107' ' ' HIS . 0.7 OUTLIER -101.37 108.11 53.74 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -74.98 128.48 11.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.8 pp -132.92 66.06 75.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.488 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.96 167.27 27.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -172.2 47.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 13.9 t -43.25 96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 151' ' ' VAL . 41.4 t -134.23 59.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.642 ' O62' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.04 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -89.95 128.41 36.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.577 HD12 ' CE1' ' A' ' 36' ' ' PHE . 1.7 pp -174.04 126.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.234 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -84.17 156.13 22.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 30' ' ' CYS . 45.2 t80 -155.65 136.94 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.629 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -76.24 165.63 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 108.289 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -95.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 34' ' ' GLY . 10.6 t30 -53.98 117.87 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.163 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 33.18 34.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.546 ' HA3' ' CB ' ' A' ' 30' ' ' CYS . . . -51.4 160.28 1.96 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.515 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 0.6 OUTLIER -106.55 -157.26 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.739 . . . . 0.0 109.553 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CZ ' ' HD3' ' A' ' 51' ' ' ARG . 92.8 m-85 -141.06 84.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' CD1' HD13 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -35.77 153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' NE ' ' HG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -143.35 158.33 43.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.554 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -125.08 107.03 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -87.42 141.96 32.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 8.83 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.36 -31.65 13.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.14 21.46 4.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.1 m -121.04 131.35 54.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 0.741 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.535 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -110.72 166.29 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.535 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 175.73 -172.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.78 138.18 9.95 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.491 ' HG1' ' NE ' ' A' ' 38' ' ' ARG . 78.7 m -115.91 123.48 48.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -40.49 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -128.22 113.34 15.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.588 ' HD3' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -51.19 121.48 6.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' A' ' 52' ' ' SER . 0.7 OUTLIER 179.45 70.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' CG ' ' OE1' ' A' ' 54' ' ' GLN . 22.8 t0 -140.75 -176.78 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.556 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 3.3 pm0 -52.73 -40.08 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 54' ' ' GLN . 18.5 m-70 -173.45 106.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.63 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -110.61 16.54 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.4 ' CD ' ' OE1' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -67.35 128.5 36.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -121.26 172.42 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -169.91 139.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.21 161.22 13.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.5 t -145.74 52.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -42.49 126.77 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -115.98 -2.85 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.0 130.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -39.12 142.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.24 4.22 67.87 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' CD ' ' CE ' ' A' ' 114' ' ' LYS . 1.5 tt0 -165.23 103.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.319 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.496 ' CG2' ' CE2' ' A' ' 111' ' ' TYR . 35.8 m -128.41 168.02 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 16.5 m-85 -117.45 166.1 12.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.2 mt -145.6 130.0 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.8 128.0 29.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.504 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 16.2 t -82.09 70.09 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 73' ' ' THR . 11.8 t -38.53 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.528 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 175.54 -51.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 76' ' ' GLY . 15.1 t -138.01 46.08 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 37.01 48.61 1.42 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.444 ' HG2' ' CD1' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -109.56 114.1 27.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 51.4 m-85 -91.73 154.93 18.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.7 tp -97.74 144.99 26.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 97' ' ' CYS . . . -166.24 -178.62 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.04 115.15 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.574 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 34.5 m-20 -73.16 170.96 13.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.421 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 2.5 m -55.62 -18.08 6.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.88 7.66 20.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 55.32 17.85 12.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -96.39 105.54 17.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.489 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.4 mp -38.62 134.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.574 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.6 p90 -161.73 164.4 29.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -116.58 164.0 12.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.99 153.41 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 10.7 tt0 -78.7 2.89 18.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.2 p -116.1 90.6 29.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.459 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.03 109.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 3.0 m-80 -148.55 -172.85 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -37.77 -31.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 94' ' ' ASN . 4.6 tt0 -66.86 -59.07 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 17.3 t -60.2 -26.0 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.294 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.53 ' HG ' ' CZ ' ' A' ' 69' ' ' TYR . 3.0 mt -59.95 174.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -153.61 114.3 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -57.19 101.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 6.9 tt0 -78.81 162.7 25.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.73 86.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -35.76 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.8 tm-20 -52.67 -43.27 65.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -126.56 -104.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.569 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 7.0 t30 -137.55 24.09 2.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 69.7 m-70 -165.81 -66.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' A' ' 145' ' ' LEU . 23.3 m-85 -49.91 131.07 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.625 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 10.0 m120 -109.1 80.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.556 ' CG2' HG13 ' A' ' 144' ' ' ILE . 57.9 p -72.87 96.87 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.625 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 18.0 m-85 -79.62 179.63 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.585 HD13 ' CZ ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -157.3 136.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.573 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 5.8 t -38.34 106.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.496 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 3.4 tmtm? -74.1 -16.31 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.485 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -80.24 -8.99 59.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.573 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.87 63.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.487 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -76.31 -10.36 59.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -59.34 -15.43 16.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -101.57 -3.2 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.07 19.61 7.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 45.9 m0 -59.23 108.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CE2' HD11 ' A' ' 144' ' ' ILE . 16.4 m-85 -88.9 178.85 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.599 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 7.5 p -112.34 9.64 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.54 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -85.79 102.97 2.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.599 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -59.8 121.48 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 128' ' ' ASN . 20.0 tttt -23.76 117.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.62 60.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.622 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.8 t-20 -140.13 -44.66 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.515 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 131.54 59.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 129' ' ' GLY . 2.1 m 168.54 125.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 1.7 t -45.04 162.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.474 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -134.78 133.95 40.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -58.8 163.83 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -40.49 -56.84 2.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.3 Cg_endo -74.99 54.97 3.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.465 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -174.35 33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 7.6 p -145.51 96.55 2.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.427 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.1 OUTLIER -143.6 171.2 14.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.641 ' CD2' ' O63' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -53.96 -165.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.461 ' C ' ' NE2' ' A' ' 141' ' ' GLN . . . 72.12 -8.12 6.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.445 1.09 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.473 ' N ' ' H5 ' ' A' ' 178' ' ' NTS . 8.9 mp0 -125.88 121.65 33.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.516 ' HG3' ' C10' ' A' ' 178' ' ' NTS . 60.8 mttt -64.9 -2.63 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.565 ' O ' ' SG ' ' A' ' 30' ' ' CYS . . . -57.03 -22.75 41.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.586 HD11 ' CE2' ' A' ' 122' ' ' PHE . 2.4 pt -89.03 -26.86 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.491 ' CD2' ' CD2' ' A' ' 108' ' ' TYR . 8.3 mp -72.92 93.39 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.626 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 9.8 m-85 -100.37 121.46 41.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.449 HD21 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -106.98 103.89 49.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.4 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.2 Cg_endo -74.99 135.56 19.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.803 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.436 ' O ' ' CD1' ' A' ' 149' ' ' LEU . 3.1 pp -131.31 66.66 79.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.488 ' O ' ' CG1' ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.96 167.24 27.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -171.91 51.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.9 t -58.18 85.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.3 t -150.8 81.87 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.987 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' NTS . . . . . 0.641 ' O63' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE3' ' CA ' ' A' ' 27' ' ' LEU . 1.9 tptt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.798 HD11 HD11 ' A' ' 149' ' ' LEU . 1.0 OUTLIER -168.48 150.03 4.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.898 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -109.51 157.71 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.504 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 67.4 t80 -143.32 145.41 32.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -93.64 143.73 26.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 108.306 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 2.7 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 2.8 m80 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 74.4 m-85 -133.1 99.06 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.795 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -37.61 150.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.519 ' NH2' HG21 ' A' ' 48' ' ' THR . 6.1 ptp180 -146.82 144.32 29.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.82 HD12 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -118.1 116.23 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.701 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -87.12 142.13 33.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.04 8.39 2.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.84 -28.09 16.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.22 24.94 3.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.701 ' HB ' HD12 ' A' ' 40' ' ' LEU . 2.3 m -125.68 145.34 50.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.82 HG13 HD12 ' A' ' 39' ' ' ILE . 2.1 t -118.07 169.64 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.446 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER 172.41 -171.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.622 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -135.89 142.69 14.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.519 HG21 ' NH2' ' A' ' 38' ' ' ARG . 21.9 m -117.12 124.72 49.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.499 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -43.12 -26.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.237 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -152.47 118.01 5.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.62 120.59 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 179.9 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.495 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 3.0 t0 -142.52 -176.65 4.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.437 ' NE2' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -54.62 -45.01 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 7.8 m-70 -168.9 103.17 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.567 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -106.61 16.74 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 151.47 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 37' ' ' LEU . 9.7 mt -141.15 170.57 15.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 33.6 tp60 -176.93 142.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.969 HD23 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -109.91 160.65 16.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' TYR . 3.3 t -144.87 55.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.623 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -41.41 131.86 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.793 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -124.16 -0.88 8.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.538 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 159.6 136.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.43 141.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 67.71 11.04 59.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.722 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.7 tt0 -163.51 101.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.851 ' O ' HD23 ' A' ' 98' ' ' LEU . 25.2 m -131.11 167.48 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.548 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 22.6 m-85 -115.87 165.34 13.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 59' ' ' GLN . 6.0 mt -147.71 127.68 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.661 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -134.52 114.51 12.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.661 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 6.3 t -66.78 71.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.513 ' O ' ' CG2' ' A' ' 73' ' ' THR . 2.1 t -38.13 109.96 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.427 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.594 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.4 mm-40 168.56 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.08 -24.18 9.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.43 47.37 1.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 1.1 mt-30 -109.61 115.37 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 43.7 m-85 -85.79 118.29 25.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.038 HD11 HD23 ' A' ' 87' ' ' LEU . 8.9 tp -59.84 106.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -130.42 176.76 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.594 ' CE ' HD12 ' A' ' 87' ' ' LEU . 1.2 ttt -139.02 105.77 5.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.623 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 22.7 m-20 -64.52 166.69 8.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 78.1 m -51.77 -20.41 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.07 -11.88 61.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.461 ' O ' ' CE ' ' A' ' 81' ' ' MET . . . 72.3 21.42 79.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.788 HD12 ' HD3' ' A' ' 133' ' ' ARG . 4.8 tt -111.18 122.67 48.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.038 HD23 HD11 ' A' ' 79' ' ' LEU . 1.5 mp -46.88 126.55 8.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.3 p90 -148.39 169.21 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -91.36 149.76 20.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.53 112.64 6.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 0.726 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -3.72 26.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.5 p -115.15 99.51 52.42 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 102.04 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.7 m120 -157.07 -153.18 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.68 69.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' ASN . 3.8 tt0 -179.11 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.525 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -72.79 -33.3 66.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 68' ' ' VAL . 2.3 mt -52.31 170.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -150.54 98.0 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.47 HD23 ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -41.85 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 68' ' ' VAL . 17.9 tt0 -112.35 143.41 43.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.752 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -142.8 -95.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -175.87 119.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.536 ' HG3' HD21 ' A' ' 145' ' ' LEU . 5.0 tp10 -97.02 -46.48 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -120.66 -103.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.574 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.8 t30 -167.36 47.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 4.1 m-70 -172.04 -64.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.591 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.597 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 8.6 m-85 -59.72 -156.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.573 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 7.6 m120 -163.69 77.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 104' ' ' GLU . 71.2 p -68.36 110.37 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.969 ' OH ' HD23 ' A' ' 60' ' ' LEU . 12.2 m-85 -86.48 -168.5 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.752 HD12 ' NH2' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -160.68 114.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.469 ' OG ' ' ND1' ' A' ' 116' ' ' HIS . 31.7 t -37.62 95.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 112' ' ' ILE . 1.2 tttm -59.72 -15.53 20.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.472 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -78.52 -19.73 52.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.623 ' CE1' ' O ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -153.87 55.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.2 -21.18 60.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -63.07 -17.86 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -110.74 0.03 17.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 53.73 50.9 16.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.788 ' HA ' HG23 ' A' ' 137' ' ' THR . 39.9 m0 -85.44 81.11 8.86 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CD2' HD12 ' A' ' 144' ' ' ILE . 16.5 m-85 -55.96 179.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.721 HG23 HD11 ' A' ' 87' ' ' LEU . 7.1 p -113.88 96.47 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 131' ' ' CYS . . . -148.25 -176.57 21.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.674 HD11 ' HG ' ' A' ' 37' ' ' LEU . 1.1 mp -142.81 126.81 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 128' ' ' ASN . 6.6 tttt -36.46 128.34 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.476 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.85 59.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 126' ' ' LYS . 2.8 m120 -150.05 -44.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 135.63 64.31 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 m 169.92 114.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.454 ' HB2' HD23 ' A' ' 125' ' ' LEU . 1.2 t -58.41 -178.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 -167.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.788 ' HD3' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -170.12 110.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.545 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 94.17 -143.37 16.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.503 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.04 93.28 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 169.39 41.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.788 HG23 ' HA ' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -148.95 59.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -120.56 130.78 54.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.711 ' CB ' HD11 ' A' ' 144' ' ' ILE . 5.3 p90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.711 HD11 ' CB ' ' A' ' 139' ' ' TYR . 2.4 pt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.597 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 1.1 mt -52.88 91.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.898 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.8 m-85 -88.98 119.89 29.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.52 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -102.37 106.83 50.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 134.29 17.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.798 HD11 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -133.99 63.94 64.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.885 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.05 164.9 32.35 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 1.8 tptt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.482 HD21 ' NH2' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -163.24 129.53 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.37 162.18 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' HD1' ' CZ ' ' A' ' 36' ' ' PHE . 59.3 t80 -153.39 129.9 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 151.94 39.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.417 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 5.6 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 62.3 m-85 -137.69 102.95 4.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' HG ' HD21 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -38.42 145.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.49 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.3 OUTLIER -143.86 123.81 13.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.882 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.9 OUTLIER -110.55 146.47 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.682 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -114.2 138.14 22.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.48 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.02 7.28 2.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.04 -43.33 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.41 49.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.503 HG22 HD23 ' A' ' 40' ' ' LEU . 1.9 m -149.95 164.59 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 110.394 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.523 HG11 HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -149.25 158.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -175.84 -159.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.18 146.84 17.56 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.49 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.1 m -126.24 129.13 48.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.737 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.24 -44.16 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 51' ' ' ARG . 4.4 m-20 -134.26 107.66 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -34.31 123.0 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 179.75 69.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . 13.4 t0 -141.08 -176.03 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -55.69 -45.82 77.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.607 ' CD2' ' HG3' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -166.28 102.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.61 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.844 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -107.29 6.28 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -48.9 149.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 56' ' ' ILE . 0.9 OUTLIER -144.87 177.52 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 70' ' ' ILE . 17.8 tp60 -175.79 153.47 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.828 HD23 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -120.27 158.67 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.3 t -145.57 49.83 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.651 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -37.95 126.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.434 ' HG2' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.73 -2.32 12.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.305 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 166.23 176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 65' ' ' VAL . 4.0 m -74.13 152.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.671 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 49.85 24.13 5.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.839 ' HG2' HD12 ' A' ' 98' ' ' LEU . 5.0 tt0 -172.2 109.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 62' ' ' ALA . 9.5 m -136.76 168.5 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.973 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 17.2 m-85 -111.21 170.43 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.531 HG22 ' HB2' ' A' ' 79' ' ' LEU . 13.3 mt -155.92 128.13 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.744 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -135.23 126.49 28.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.882 ' CB ' HG21 ' A' ' 39' ' ' ILE . 4.5 t -70.93 90.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.487 HG21 ' OE1' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -49.67 90.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.607 ' HG3' ' CD2' ' A' ' 55' ' ' HIS . 2.5 tt0 -171.02 -70.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.48 HG21 ' HB3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -114.78 -42.31 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.461 ' HA2' ' HZ3' ' A' ' 71' ' ' LYS . . . 136.04 49.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.453 1.095 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.546 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 2.3 mt-30 -105.3 115.65 30.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 49.0 m-85 -87.05 128.03 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.622 HD11 HD23 ' A' ' 87' ' ' LEU . 8.4 tp -69.75 109.93 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -130.54 172.28 12.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ttm -135.73 119.36 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -75.9 -177.09 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.9 m -62.48 -12.5 22.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -89.91 -1.99 58.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.489 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 63.13 14.6 54.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -93.35 107.85 19.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.622 HD23 HD11 ' A' ' 79' ' ' LEU . 5.5 mp -39.34 128.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 4.2 p90 -150.21 166.21 30.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -80.86 153.49 34.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.117 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.66 113.24 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.95 2.66 16.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.6 p -115.18 96.18 44.6 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.95 101.57 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.56 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.8 m120 -164.37 -150.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.54 59.92 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' ASN . 3.9 tt0 -167.83 -41.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -84.3 -19.95 32.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.973 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 2.9 mm? -64.14 167.36 6.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.497 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -146.91 97.44 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.671 HD23 ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -41.94 101.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.556 ' OE1' HG11 ' A' ' 68' ' ' VAL . 3.6 tm-20 -112.45 143.2 43.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.596 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -140.49 -98.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -178.37 121.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 104' ' ' GLU . 4.4 tp10 -96.93 -61.56 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -103.13 -109.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 7.3 m120 -161.63 45.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 11.9 m-70 -167.69 -60.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.625 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.612 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 6.4 m-85 -66.74 -154.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.622 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 67.6 m-20 -169.93 86.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.482 ' CG2' HG13 ' A' ' 144' ' ' ILE . 75.6 p -71.42 124.19 24.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.363 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.828 ' OH ' HD23 ' A' ' 60' ' ' LEU . 13.5 m-85 -99.24 -173.38 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.734 HD11 ' CE1' ' A' ' 122' ' ' PHE . 1.2 mt -159.47 134.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.461 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 9.9 t -47.43 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.476 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 1.8 tttm -63.98 -16.86 62.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.664 ' CE ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -73.89 -17.9 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.664 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -172.93 66.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.509 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -74.86 -13.99 60.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.32 -15.68 11.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.564 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -105.11 1.05 28.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 137' ' ' THR . 29.0 m120 59.25 41.14 20.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 41.3 m0 -76.43 104.71 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.734 ' CE1' HD11 ' A' ' 112' ' ' ILE . 15.2 m-85 -86.75 174.89 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.588 HG23 HD21 ' A' ' 87' ' ' LEU . 7.8 p -111.98 63.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.31 133.08 10.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -99.04 122.42 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 125' ' ' LEU . 50.9 tttt -35.98 131.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.518 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -69.34 58.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 126' ' ' LYS . 2.6 m120 -148.36 -45.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 136.52 67.31 0.06 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 t 175.27 133.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.966 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.43 170.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.64 168.08 9.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.5 OUTLIER -106.15 141.84 36.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.621 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.06 -56.8 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.07 49.63 2.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.1 38.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -123.3 66.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.493 ' N ' ' ND1' ' A' ' 138' ' ' HIS . 0.1 OUTLIER -133.49 135.46 44.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.6 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.673 ' CB ' HD11 ' A' ' 144' ' ' ILE . 26.8 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.673 HD11 ' CB ' ' A' ' 139' ' ' TYR . 2.3 pt . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.662 HD23 ' N ' ' A' ' 145' ' ' LEU . 0.7 OUTLIER -53.06 91.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 123' ' ' VAL . 2.1 m-30 -92.19 120.5 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.497 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.7 OUTLIER -101.69 107.74 52.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 125.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.033 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.2 pp -130.67 68.53 81.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.846 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.98 165.0 32.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.846 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HG3' ' CA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.893 ' HG ' HD11 ' A' ' 149' ' ' LEU . 2.2 pp -148.74 111.46 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -53.57 158.0 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.495 ' HD1' ' CZ ' ' A' ' 36' ' ' PHE . 43.5 t80 -146.45 131.64 18.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -71.56 128.06 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.6 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 30.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.458 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 63.8 m80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.587 ' CE2' ' HG3' ' A' ' 51' ' ' ARG . 52.5 m-85 -137.04 102.68 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.78 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -44.72 162.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.09 172.0 16.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.586 HD13 ' HB3' ' A' ' 72' ' ' SER . 0.2 OUTLIER -149.94 112.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.827 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -88.47 140.59 30.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 8.91 2.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -94.42 -30.61 14.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.28 30.99 1.61 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.827 ' HB ' HD12 ' A' ' 40' ' ' LEU . 2.9 m -130.2 145.06 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 46' ' ' ASP . 3.0 t -120.99 171.97 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.553 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.46 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.629 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -136.46 138.99 10.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' PHE . 1.2 m -111.33 126.18 54.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -52.75 -46.38 67.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 51' ' ' ARG . 3.4 m-20 -128.13 100.22 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.587 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -30.93 118.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t 179.45 69.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -139.96 -173.57 3.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.477 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -58.03 -43.21 86.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.477 ' N ' HE21 ' A' ' 54' ' ' GLN . 14.1 m-70 -169.98 104.52 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.617 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.577 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -110.19 17.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -74.02 134.28 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 56' ' ' ILE . 3.7 mp -127.08 -177.68 4.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 70' ' ' ILE . 6.2 tp-100 -173.13 150.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.59 HD23 HG12 ' A' ' 70' ' ' ILE . 0.6 OUTLIER -109.42 163.82 13.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.8 t -145.5 54.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.043 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . . . -39.35 126.6 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.961 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -119.0 -0.88 11.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.76 135.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -43.13 135.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.53 -2.78 61.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.82 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.2 tt0 -149.96 103.72 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 0.801 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.896 ' O ' HD23 ' A' ' 98' ' ' LEU . 28.4 m -128.12 163.97 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.523 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 10.5 m-85 -116.71 169.9 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.668 HD12 ' CD2' ' A' ' 99' ' ' PHE . 87.1 mt -146.46 128.0 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -137.57 108.55 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.586 ' HB3' HD13 ' A' ' 39' ' ' ILE . 4.9 t -65.48 88.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 73' ' ' THR . 12.9 t -59.62 100.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 75' ' ' THR . 10.7 pt-20 -176.82 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 4.4 t -122.39 -32.94 3.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.54 46.79 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.14 122.03 42.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 52.4 m-85 -83.9 152.38 24.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.572 ' HB2' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -93.26 127.34 38.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -147.23 -166.5 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.481 ' HE2' ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -152.36 93.64 1.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.596 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 63.1 m-20 -46.59 171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.576 HG23 ' NE2' ' A' ' 116' ' ' HIS . 1.5 m -71.61 -10.96 60.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.28 -5.78 53.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.481 ' O ' ' HE2' ' A' ' 81' ' ' MET . . . 76.15 20.71 77.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.533 HD23 ' N ' ' A' ' 87' ' ' LEU . 2.6 tt -113.0 122.22 46.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.533 ' N ' HD23 ' A' ' 86' ' ' LEU . 3.0 mp -50.15 125.78 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -150.82 166.05 31.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.01 147.59 17.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.7 t -135.4 148.32 49.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.54 0.74 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.0 p -117.84 88.75 31.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLU . 3.6 m120 -153.02 -151.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.33 69.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 94' ' ' ASN . 22.1 tt0 179.99 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.572 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.0 t -80.56 -32.7 36.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.961 HD21 ' HG2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -53.21 175.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.712 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -152.58 122.34 6.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 100.94 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.8 OUTLIER -80.21 134.11 36.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.567 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.5 OUTLIER -144.48 74.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.567 ' C ' ' O ' ' A' ' 102' ' ' ARG . 14.1 tp -27.34 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -57.07 -42.98 81.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.6 tt0 -130.23 -105.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 6.1 t30 -138.36 38.43 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.688 ' HB3' HD23 ' A' ' 147' ' ' LEU . 13.2 m-70 179.99 -67.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 1.014 ' CD2' HD23 ' A' ' 145' ' ' LEU . 10.4 m-85 -53.58 102.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 15.3 m-20 -82.86 65.8 8.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.8 p -48.39 97.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 101' ' ' GLU . 12.2 m-85 -81.53 -174.48 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.999 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -166.82 125.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 112' ' ' ILE . 11.2 t -35.44 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 112' ' ' ILE . 25.7 tttm -56.71 -18.6 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -90.61 -2.22 57.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.772 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 11.8 m-70 -152.94 39.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.605 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.2 -16.36 62.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.74 -25.39 53.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.3 -2.88 32.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 66.67 25.14 9.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.772 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 22.8 m0 -62.94 82.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.037 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.999 ' CE1' HD11 ' A' ' 112' ' ' ILE . 15.7 m-85 -60.73 -171.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 123' ' ' VAL . 3.8 p -128.42 19.68 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.429 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -85.98 113.44 3.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.78 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -68.26 120.79 14.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.627 ' O ' ' N ' ' A' ' 128' ' ' ASN . 1.5 tttt -20.89 114.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.26 61.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.6 t-20 -150.56 -41.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.458 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.63 69.1 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.72 135.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 132' ' ' LYS . 42.1 t -52.49 157.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.443 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 0.8 OUTLIER -126.31 159.14 33.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.472 ' CB ' ' HD2' ' A' ' 135' ' ' PRO . 0.3 OUTLIER -92.8 154.17 18.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -44.24 -50.51 7.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.3 Cg_endo -75.01 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 170.4 39.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 2.7 p -140.27 104.58 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.425 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.584 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -145.64 -177.02 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.427 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.629 HD12 ' CE2' ' A' ' 122' ' ' PHE . 19.9 pt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 1.014 HD23 ' CD2' ' A' ' 108' ' ' TYR . 4.7 mp -65.98 111.83 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.485 ' CE1' HD12 ' A' ' 37' ' ' LEU . 17.6 m-85 -124.44 126.03 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' ' 107' ' ' HIS . 2.3 tm? -117.22 105.27 49.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.62 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.4 Cg_endo -74.95 137.38 21.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.893 HD11 ' HG ' ' A' ' 27' ' ' LEU . 3.0 pp -123.14 79.04 52.02 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.882 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.1 Cg_endo -75.07 -178.6 4.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CE ' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CE ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -167.27 157.52 11.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.14 151.14 22.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.462 ' HB2' ' CD2' ' A' ' 149' ' ' LEU . 90.0 t80 -132.37 127.3 35.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.13 148.44 26.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 108.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.475 ' HA ' ' O ' ' A' ' 48' ' ' THR . 56.1 m80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 50' ' ' ASP . 51.4 m-85 -109.77 97.67 7.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.675 ' HG ' HD21 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -37.44 133.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.738 ' NH2' HG21 ' A' ' 48' ' ' THR . 3.8 ptp180 -131.7 169.21 16.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.536 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -140.28 116.78 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.715 HD12 HG22 ' A' ' 44' ' ' THR . 0.9 OUTLIER -85.22 141.51 37.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.575 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.97 10.85 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.819 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.56 -28.62 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.57 17.68 4.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.715 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.05 128.33 51.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.392 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.543 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -106.99 166.72 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.649 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 169.85 -172.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.813 ' HA3' HD22 ' A' ' 125' ' ' LEU . . . -128.1 151.12 18.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.738 HG21 ' NH2' ' A' ' 38' ' ' ARG . 27.7 m -125.95 122.85 37.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' THR . 2.2 ttt-85 -35.92 -34.29 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.58 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -152.37 116.29 4.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.555 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -24.68 94.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.1 p -125.69 40.2 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.694 ' HB3' HG22 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -143.56 144.4 31.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.474 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -63.02 -10.22 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CE1' ' HD3' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -143.67 92.95 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.61 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.694 HG22 ' HB3' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -129.85 6.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' HD13 ' A' ' 56' ' ' ILE . 50.7 mt-30 -75.15 154.67 37.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -145.62 171.74 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 1.7 tp60 -164.66 138.39 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.735 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -101.56 160.83 14.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.36 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.431 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.4 t -146.93 50.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -38.72 124.9 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.56 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -114.5 -1.95 13.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.79 178.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.437 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -81.28 150.57 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 100' ' ' LEU . . . 57.99 21.43 45.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.868 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.2 pm0 -175.2 121.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.586 HG12 ' CB ' ' A' ' 62' ' ' ALA . 19.8 m -139.9 165.51 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.851 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 16.0 m-85 -103.09 176.28 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.518 ' CG1' ' O ' ' A' ' 69' ' ' TYR . 10.4 mt -157.88 127.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -136.63 125.15 23.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.536 ' CB ' HG21 ' A' ' 39' ' ' ILE . 47.8 t -80.12 72.35 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 73' ' ' THR . 12.9 t -37.37 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 72' ' ' SER . 0.9 OUTLIER 173.05 -51.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 76' ' ' GLY . 70.5 p -97.83 -110.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.424 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -172.2 58.16 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.99 154.55 24.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 0.739 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 5.2 m-85 -113.5 134.72 54.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.515 ' HB2' HG22 ' A' ' 70' ' ' ILE . 7.2 tp -46.89 146.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.526 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -165.5 176.15 8.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.926 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.26 113.75 8.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -72.0 178.57 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.1 m -61.1 -13.71 19.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.75 12.87 11.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.468 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 46.57 27.16 2.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -107.55 110.15 21.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.747 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.926 HD12 ' HG3' ' A' ' 81' ' ' MET . 3.0 mp -39.72 136.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.469 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.0 p90 -163.19 146.93 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -79.81 142.01 24.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.34 122.6 22.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -0.08 19.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.098 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -115.06 94.84 40.08 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 105.43 2.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.768 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.581 ' O ' HD23 ' A' ' 98' ' ' LEU . 3.2 m120 -161.11 -153.68 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.98 67.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.479 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 20.8 tt0 -175.08 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.526 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.7 t -65.17 -26.53 68.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 108.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.868 HD12 ' HB2' ' A' ' 67' ' ' GLU . 1.9 mm? -51.71 163.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.424 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -144.35 104.82 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.642 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -53.21 96.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.568 ' HB2' HG22 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -89.48 163.05 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.516 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER 179.68 93.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.578 HD21 ' N ' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -31.04 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 102' ' ' ARG . 4.0 tm-20 -63.52 -58.2 7.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -101.34 -113.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.599 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 28.5 t30 -142.1 43.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 8.4 m80 -175.0 -69.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.615 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 8.1 m-85 -47.2 176.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.627 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 16.3 m120 -143.73 61.25 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.486 ' CG2' HG13 ' A' ' 144' ' ' ILE . 40.7 p -48.91 129.5 17.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.627 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 2.8 m-85 -112.13 179.41 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.931 HD11 ' CZ ' ' A' ' 122' ' ' PHE . 11.1 mt -154.82 136.21 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.639 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 9.0 t -44.14 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.521 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -68.8 -9.15 49.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HG3' ' CB ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -83.83 -13.71 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.639 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -174.55 62.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.642 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -72.74 -4.57 32.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.85 -10.46 20.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.517 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.1 OUTLIER -115.39 5.35 14.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.447 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.9 OUTLIER 55.97 39.1 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.6 m0 -71.04 92.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 107.988 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.931 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 12.6 m-85 -75.52 178.09 6.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.632 HG23 HD21 ' A' ' 87' ' ' LEU . 14.1 p -118.89 95.7 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -145.54 174.4 25.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.813 HD22 ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -135.29 118.05 16.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 128' ' ' ASN . 2.9 tttt -33.65 128.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.09 58.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -149.14 -44.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 138.78 66.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.84 128.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 109.989 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.06 -177.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 108.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.94 173.75 6.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' GLY . 2.6 ttt180 -109.92 152.25 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.59 -58.18 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.499 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.98 51.9 2.91 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.46 38.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -127.05 63.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.406 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.496 ' N ' ' ND1' ' A' ' 138' ' ' HIS . 0.1 OUTLIER -132.74 131.12 40.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.601 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.687 ' CB ' HD11 ' A' ' 144' ' ' ILE . 9.0 p90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.687 HD11 ' CB ' ' A' ' 139' ' ' TYR . 2.2 pt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.682 HD23 ' N ' ' A' ' 145' ' ' LEU . 1.7 mt -49.81 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.671 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 1.4 m-85 -91.94 119.53 31.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.51 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -106.7 108.83 62.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.7 24.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.585 1.834 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.504 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.4 pp -134.11 62.92 59.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.809 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 167.2 27.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.524 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.807 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -139.04 107.04 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -88.09 129.35 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -121.59 130.28 53.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -75.93 135.81 40.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.293 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 48' ' ' THR . 71.0 m80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 15.2 m-85 -119.04 105.21 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.668 ' HB3' HD11 ' A' ' 58' ' ' LEU . 5.9 mt -41.95 145.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -139.56 -176.68 4.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.699 HD13 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -165.95 139.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.73 HD23 HG22 ' A' ' 44' ' ' THR . 0.5 OUTLIER -108.47 141.38 23.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.478 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.02 5.19 4.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.08 -48.57 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.96 44.8 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.153 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.73 HG22 HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -144.71 168.52 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.434 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.561 HG11 HD11 ' A' ' 79' ' ' LEU . 1.4 t -146.91 164.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.456 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -176.58 -162.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.63 131.34 6.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.445 ' N ' ' HD2' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -91.06 145.01 25.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.12 -19.0 24.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.6 m-20 -150.82 91.85 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.601 ' CD ' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -30.88 94.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.0 t 178.66 66.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -133.51 -176.16 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.563 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -40.24 -49.09 2.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.563 ' N ' HE21 ' A' ' 54' ' ' GLN . 5.4 m-70 -177.15 101.08 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.647 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -102.58 4.14 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.446 ' N ' HD13 ' A' ' 56' ' ' ILE . 3.9 mp0 -52.8 163.25 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 37' ' ' LEU . 21.5 mt -157.15 175.7 13.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -171.53 120.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.516 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -87.13 162.72 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' ALA . 24.9 t -147.62 57.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -38.56 125.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.537 ' CG ' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -119.79 2.31 11.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER 162.86 125.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -41.77 140.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.568 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 77.38 5.9 86.03 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.68 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.3 tt0 -169.46 105.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.829 ' O ' HD23 ' A' ' 98' ' ' LEU . 29.9 m -121.82 171.17 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 4.9 m-85 -114.68 169.01 9.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.756 HD12 ' HD2' ' A' ' 99' ' ' PHE . 94.8 mt -146.24 126.18 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -132.8 101.09 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.56 ' CB ' HG21 ' A' ' 39' ' ' ILE . 15.0 t -56.35 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 73' ' ' THR . 4.5 t -58.01 107.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 23.9 tp10 168.67 -41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.478 HG21 ' HB3' ' A' ' 41' ' ' PRO . 1.8 t -149.47 47.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.13 75.48 0.07 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.5 OUTLIER -134.51 134.31 41.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.281 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 34.1 m-85 -109.74 118.43 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.728 ' HG ' HD23 ' A' ' 87' ' ' LEU . 7.8 tp -68.09 127.82 34.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.667 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -150.08 -176.87 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.576 ' SD ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -137.66 119.53 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.603 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 69.2 m-20 -77.26 174.9 10.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -63.57 -12.34 32.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.75 -3.27 46.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 70.21 5.97 55.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -102.25 111.37 23.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.728 HD23 ' HG ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -39.67 138.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.603 ' CE2' ' OD1' ' A' ' 82' ' ' ASP . 1.5 p90 -152.12 176.6 11.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.595 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -92.38 149.06 19.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.92 112.16 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -5.77 29.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -115.32 98.83 51.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 102.9 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.8 m120 -161.91 -148.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -67.67 63.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 21.9 tt0 -170.6 -44.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.667 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 4.2 t -78.73 -35.46 44.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -48.56 173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.756 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -153.71 104.72 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -51.14 97.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 7.6 tt0 -88.75 143.94 26.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -165.01 86.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.8 OUTLIER -28.35 97.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.0 tm-20 -58.23 -51.27 70.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.483 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.3 tt0 -101.18 -104.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 1.3 t-20 -149.99 34.51 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.578 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 11.0 m-70 -168.58 -63.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.582 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 13.1 m-85 -60.06 160.27 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.614 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 14.1 m-20 -128.16 84.17 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.485 ' CG2' HG13 ' A' ' 144' ' ' ILE . 76.2 p -70.29 104.38 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 10.0 m-85 -84.98 178.41 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.454 HG21 ' HB1' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -152.7 148.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.534 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 46.2 t -56.91 86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' ILE . 1.3 tmtm? -52.03 -24.26 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.63 ' CE ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.18 -38.8 92.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.63 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -152.92 65.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.572 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.454 ' HB1' HG21 ' A' ' 112' ' ' ILE . . . -73.85 -3.99 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -60.21 -14.6 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 1.4 tttt -112.67 4.8 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.37 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 122' ' ' PHE . 1.1 m-20 61.4 20.73 11.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 35.7 m0 -54.32 92.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 108.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.653 ' CE1' HD12 ' A' ' 144' ' ' ILE . 9.1 m-85 -71.95 -172.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.707 HG23 HD11 ' A' ' 87' ' ' LEU . 7.6 p -119.59 25.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.545 ' HA3' HG22 ' A' ' 144' ' ' ILE . . . -65.17 -158.53 0.38 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.831 HD12 ' N ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -170.27 108.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.563 ' O ' ' N ' ' A' ' 128' ' ' ASN . 32.7 tttt -28.78 128.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.61 60.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 126' ' ' LYS . 19.7 m120 -147.84 -43.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 133.94 70.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 170.25 142.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.777 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.96 169.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.635 ' CB ' HG23 ' A' ' 137' ' ' THR . 5.1 mttt -103.72 153.94 20.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -88.57 145.91 25.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.616 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.11 -62.3 0.73 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.0 Cg_endo -75.01 52.29 3.02 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.24 39.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.635 HG23 ' CB ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -126.82 51.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -120.54 135.42 55.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.56 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.72 ' HB2' HD11 ' A' ' 144' ' ' ILE . 9.3 p90 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.72 HD11 ' HB2' ' A' ' 139' ' ' TYR . 3.3 pt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.757 HD23 ' N ' ' A' ' 145' ' ' LEU . 0.2 OUTLIER -59.36 93.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.586 ' HB3' HD21 ' A' ' 28' ' ' LEU . 4.0 m-85 -89.81 125.46 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.45 HD22 ' HD2' ' A' ' 148' ' ' PRO . 0.7 OUTLIER -105.6 104.48 48.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.45 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -74.99 121.35 6.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.615 HD11 HD21 ' A' ' 27' ' ' LEU . 1.2 pp -133.89 67.07 73.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 18.2 Cg_endo -75.0 178.63 7.01 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 150' ' ' PRO . 5.1 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HG3' ' CA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -150.0 102.26 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.942 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -55.12 170.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.779 ' H ' HD23 ' A' ' 28' ' ' LEU . 4.2 t80 -172.8 148.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.628 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 14.4 m -72.82 160.25 32.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 108' ' ' TYR . 34.3 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 1.2 m80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.65 ' CD2' ' HB2' ' A' ' 29' ' ' TYR . 38.9 m-85 -119.14 99.12 6.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.824 ' HG ' HD11 ' A' ' 125' ' ' LEU . 4.5 mt -34.29 142.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.514 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 2.7 ptp180 -141.99 148.06 37.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -126.46 115.81 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.745 ' CD2' HE22 ' A' ' 54' ' ' GLN . 0.7 OUTLIER -86.26 141.87 35.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.02 9.19 2.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -93.41 -27.94 16.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.84 14.99 5.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 40' ' ' LEU . 1.1 m -120.44 133.01 55.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -111.27 166.43 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.588 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 175.8 -172.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.732 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -133.6 140.76 12.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.511 HG21 ' NH2' ' A' ' 38' ' ' ARG . 3.5 m -115.4 126.5 54.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -38.81 -39.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.565 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 54.2 m-20 -143.51 120.0 11.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.599 ' HD3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -35.23 119.71 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 179.49 70.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.544 ' OD2' ' NE2' ' A' ' 54' ' ' GLN . 8.1 t0 -144.93 -176.17 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.745 HE22 ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -56.86 -37.49 71.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 2.6 m-70 -179.5 109.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -105.55 17.69 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -46.42 146.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -151.82 166.78 30.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -179.77 143.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.544 HD13 ' OH ' ' A' ' 111' ' ' TYR . 1.2 mt -100.93 161.59 13.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.8 t -146.1 53.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.043 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.98 125.99 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.681 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -118.32 -0.25 11.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.97 129.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.409 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -40.68 138.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.59 -7.31 58.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.703 ' HG2' HD13 ' A' ' 98' ' ' LEU . 3.1 tt0 -153.05 104.24 2.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.823 ' O ' HD23 ' A' ' 98' ' ' LEU . 35.2 m -125.94 162.9 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.477 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 12.2 m-85 -111.32 167.3 10.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.903 HD12 ' CD2' ' A' ' 99' ' ' PHE . 89.4 mt -144.41 128.93 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.3 OUTLIER -135.33 134.3 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.551 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 31.3 t -87.63 71.49 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 73' ' ' THR . 14.8 t -40.57 95.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' SER . 26.8 tp10 176.77 -48.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' GLY . 7.4 t -142.33 45.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.372 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.97 52.67 1.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.31 115.55 29.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 60.7 m-85 -95.96 146.96 24.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 79' ' ' LEU . 5.4 tp -89.31 144.86 25.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.722 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -167.2 173.85 8.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.977 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.08 117.45 10.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.594 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 37.1 m-20 -76.59 171.69 14.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 m -57.04 -16.52 7.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.6 8.03 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.484 ' O ' ' HE3' ' A' ' 81' ' ' MET . . . 53.35 19.19 8.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -98.18 104.11 16.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.977 HD12 ' HG3' ' A' ' 81' ' ' MET . 5.0 mp -38.57 134.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.594 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.4 p90 -162.62 165.07 26.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -119.41 164.46 13.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.64 155.32 29.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.746 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.16 3.43 17.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.238 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.8 p -116.11 90.21 27.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 97' ' ' CYS . 18.4 Cg_endo -75.0 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' GLU . 7.5 m120 -146.58 -172.27 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -37.98 -31.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.251 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 94' ' ' ASN . 25.1 tt0 -68.93 -61.08 1.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.722 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 8.9 t -56.46 -30.8 63.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.823 HD23 ' O ' ' A' ' 68' ' ' VAL . 1.4 mt -56.84 172.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.903 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -151.36 113.32 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.597 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -54.86 100.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' CD ' HG11 ' A' ' 68' ' ' VAL . 4.0 tt0 -62.5 166.46 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 104' ' ' GLU . 3.8 mtm180 179.49 91.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.538 ' HA ' HD23 ' A' ' 103' ' ' LEU . 0.5 OUTLIER -60.48 83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.617 ' HG3' HD21 ' A' ' 145' ' ' LEU . 0.6 OUTLIER -39.72 -47.65 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.8 OUTLIER -130.31 -100.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.588 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 3.0 t-20 -143.3 38.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.588 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -175.45 -65.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.631 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 31' ' ' SER . 6.2 m-85 -59.39 116.75 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.649 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 6.9 m-20 -97.1 77.59 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.887 ' CG2' HD23 ' A' ' 145' ' ' LEU . 82.2 p -67.15 96.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.45 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 22.0 m-85 -79.13 -178.5 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.963 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.661 HD11 ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -160.95 132.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.614 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 6.1 t -37.45 105.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.597 ' HG2' HD12 ' A' ' 100' ' ' LEU . 3.0 tmtm? -70.7 -24.14 62.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.512 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -72.43 -8.75 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.614 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.85 67.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.496 ' CB ' HG23 ' A' ' 112' ' ' ILE . . . -77.82 -16.78 58.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.37 -15.95 12.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.2 OUTLIER -100.7 -3.01 31.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.2 OUTLIER 63.35 33.49 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.584 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 40.2 m0 -71.77 88.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.661 ' CD1' HD11 ' A' ' 112' ' ' ILE . 23.9 m-85 -69.51 -178.98 1.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 123' ' ' VAL . 7.4 p -116.99 13.84 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.419 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -89.56 104.43 3.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.824 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.79 116.99 4.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 0.791 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.97 125.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.456 ' C ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.3 59.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -134.58 -46.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.585 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.71 58.21 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 131' ' ' CYS . 2.1 m 169.15 125.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' SER . 6.7 t -43.31 163.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.279 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.474 ' HE2' ' CD ' ' A' ' 126' ' ' LYS . 8.5 mptt -134.22 141.93 47.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -65.48 161.71 19.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -37.53 -59.12 1.32 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.22 3.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.422 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -172.96 32.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 2.5 p -144.46 102.32 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.392 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.552 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -149.85 174.75 12.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.558 HG22 ' HB3' ' A' ' 122' ' ' PHE . 4.3 pt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.887 HD23 ' CG2' ' A' ' 110' ' ' THR . 12.1 mt -68.77 114.68 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.942 ' HB3' HD21 ' A' ' 28' ' ' LEU . 5.4 m-85 -119.6 126.87 52.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 149' ' ' LEU . 0.5 OUTLIER -115.87 98.83 51.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.81 22.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -126.48 82.15 66.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.893 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.6 Cg_endo -74.93 172.9 15.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.893 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HZ1' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.801 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.15 104.61 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.652 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -75.5 177.5 6.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.853 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 11.4 t80 -171.46 157.25 4.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.577 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 92.0 m -79.95 126.93 31.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.616 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 9.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.616 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 2.2 m80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.853 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 12.3 m-85 -122.7 104.16 9.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.975 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -38.46 147.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.693 ' HD3' HD21 ' A' ' 40' ' ' LEU . 5.5 ptp180 -144.68 129.97 18.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.721 HD12 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -106.82 110.84 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.693 HD21 ' HD3' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -86.95 142.34 34.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.95 7.58 2.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.46 -30.57 15.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.01 23.75 4.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.559 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.8 137.65 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.376 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.721 HG13 HD12 ' A' ' 39' ' ' ILE . 2.1 t -113.15 167.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 171.48 -171.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -138.6 138.83 9.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.446 ' C ' ' HB3' ' A' ' 35' ' ' HIS . 6.5 m -111.0 124.83 52.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.493 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -36.33 -54.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -133.55 106.75 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.646 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -24.02 131.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 p 179.76 48.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.927 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.559 ' HB3' HG23 ' A' ' 56' ' ' ILE . 5.1 t0 -121.57 -172.96 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 55' ' ' HIS . 3.0 pm0 -77.22 -30.34 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.435 ' N ' ' CD ' ' A' ' 54' ' ' GLN . 9.9 m-70 -169.4 103.54 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.608 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.815 HD12 ' C ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -115.41 1.27 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.9 mt-30 -50.56 154.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.5 mp -144.86 179.95 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 70' ' ' ILE . 1.3 tt0 -168.32 142.86 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.528 HD23 HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -109.83 160.42 16.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.9 t -142.74 52.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.635 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -40.23 127.89 2.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.634 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -119.44 -0.88 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 159.72 127.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' SER . 4.3 m -38.75 144.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 74.29 6.24 74.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.862 ' OE2' HD13 ' A' ' 98' ' ' LEU . 3.3 tt0 -169.61 106.07 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.878 ' O ' HD23 ' A' ' 98' ' ' LEU . 19.5 m -128.22 166.74 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.58 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 10.3 m-85 -112.64 167.49 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.528 HG12 HD23 ' A' ' 60' ' ' LEU . 63.1 mt -146.91 130.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -143.06 93.33 2.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 t -60.42 82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -49.01 106.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.419 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 172.09 -33.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 t -152.56 37.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 37.67 61.24 1.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.13 124.89 45.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 31.8 m-85 -100.11 121.99 42.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.574 HD22 HD11 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -62.24 135.07 57.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -153.34 179.2 8.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.439 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -146.35 113.23 6.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 85' ' ' GLY . 69.3 m-20 -71.78 175.63 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.463 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 20.7 m -54.3 -19.91 6.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.2 13.5 15.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.478 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 46.3 24.19 1.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -93.22 106.65 18.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LEU . 9.1 mp -39.03 118.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' A' ' 80' ' ' ALA . 3.8 p90 -140.95 166.62 24.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.3 155.13 16.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.73 143.56 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.21 5.3 17.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -116.23 92.0 34.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.45 ' HA ' ' CB ' ' A' ' 97' ' ' CYS . 18.3 Cg_endo -74.98 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' GLU . 7.8 m120 -141.71 -174.12 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -38.06 -30.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' ASN . 28.8 tt0 -70.91 -54.18 12.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 6.0 t -56.75 -45.76 81.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 68' ' ' VAL . 1.6 mt -46.16 170.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.526 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.64 100.95 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.998 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -43.15 96.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' GLY . 6.5 tm-20 -110.83 149.03 31.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.84 HH21 HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -140.85 -91.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.62 124.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.972 ' OE1' HD21 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -102.91 -47.27 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.417 ' O ' HD22 ' A' ' 103' ' ' LEU . 1.7 tt0 -130.43 -139.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 3.0 t-20 -121.28 50.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.5 m170 179.65 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.972 ' CD2' HD23 ' A' ' 145' ' ' LEU . 5.3 m-85 -76.85 158.67 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.662 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 12.4 m120 -134.02 58.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.494 ' CG2' ' HG ' ' A' ' 145' ' ' LEU . 29.4 p -37.6 150.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.347 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.662 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -134.25 177.03 8.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.178 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.84 HD12 HH21 ' A' ' 102' ' ' ARG . 0.4 OUTLIER -156.95 125.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.641 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 23.0 t -36.0 107.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.711 ' HG2' HD12 ' A' ' 100' ' ' LEU . 4.1 tmtm? -68.36 -25.33 65.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.507 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -68.55 -8.99 46.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.641 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -178.8 68.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.602 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -83.92 6.35 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.66 -16.65 61.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.603 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -105.22 -2.97 23.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.475 ' HA ' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER 68.53 20.16 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.607 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 44.7 m0 -54.08 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.77 ' CE2' HD11 ' A' ' 112' ' ' ILE . 9.8 m-85 -79.06 175.48 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 123' ' ' VAL . 9.9 p -106.48 26.04 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.493 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -100.54 103.32 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.975 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -59.72 113.79 2.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 128' ' ' ASN . 17.0 tttt -24.6 116.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 63.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.638 ' N ' ' O ' ' A' ' 126' ' ' LYS . 8.7 t-20 -134.5 -44.68 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.616 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 122.47 64.92 0.22 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.421 ' HG ' ' HZ3' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 169.14 124.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.761 . . . . 0.0 110.063 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.423 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 5.7 t -49.94 145.62 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.486 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -122.59 169.49 10.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.95 -178.65 3.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -45.08 -63.15 2.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 54.26 3.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.486 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.2 OUTLIER 179.21 36.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 134' ' ' GLY . 1.7 t -158.83 100.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 139' ' ' TYR . 6.3 m80 -146.72 -171.66 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.611 ' CD1' ' CD1' ' A' ' 144' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.716 ' CG1' HD12 ' A' ' 145' ' ' LEU . 13.0 pt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.972 HD23 ' CD2' ' A' ' 108' ' ' TYR . 6.2 mp -74.94 112.19 10.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.827 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 4.7 m-85 -111.18 123.99 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.714 ' O ' HD23 ' A' ' 149' ' ' LEU . 1.0 OUTLIER -109.84 100.92 45.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.446 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.02 136.85 20.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -130.47 68.89 81.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.67 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.04 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' ' 150' ' ' PRO . 12.0 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.597 ' HZ1' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.457 ' HG ' HD11 ' A' ' 149' ' ' LEU . 2.3 pp -163.66 152.29 13.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.59 146.63 26.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 30.1 t80 -135.5 147.3 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.543 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -90.06 151.4 21.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.44 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 77.3 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 3.8 m80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 77.1 m-85 -125.9 101.53 6.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.025 HD23 HD21 ' A' ' 125' ' ' LEU . 4.8 mt -37.01 154.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.498 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 7.4 ptp180 -153.19 146.61 24.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.818 HD12 HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -123.05 119.3 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.69 HD12 HG22 ' A' ' 44' ' ' THR . 0.9 OUTLIER -87.05 141.72 33.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.02 7.79 2.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -90.48 -30.15 17.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.22 13.95 5.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.69 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -114.31 163.37 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.428 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.818 HG13 HD12 ' A' ' 39' ' ' ILE . 1.7 t -130.49 165.42 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.616 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 176.37 178.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.886 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -126.1 156.59 19.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 21.7 m -131.83 123.96 28.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.487 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -46.32 -24.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 48' ' ' THR . 1.6 m-20 -152.8 126.77 9.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.577 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -47.54 122.26 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.414 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.3 t 179.77 70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.3 t0 -150.49 168.7 23.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.26 -52.94 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.518 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 15.1 m-70 -159.31 99.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.5 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -103.69 26.91 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.569 ' C ' HD12 ' A' ' 58' ' ' LEU . 1.3 mp0 -85.41 132.17 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.597 ' N ' ' HZ1' ' A' ' 26' ' ' LYS . 5.1 mp -137.04 116.44 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.592 ' O ' HG23 ' A' ' 70' ' ' ILE . 8.8 tp-100 -104.65 160.87 14.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.571 HD22 ' OH ' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -111.08 158.44 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 11.7 t -143.03 51.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.559 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -39.82 123.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.724 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -114.3 -0.53 13.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 170.82 178.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.975 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -82.26 150.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.591 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 58.72 20.88 49.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.945 ' HB2' HD22 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -176.58 122.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.307 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 62' ' ' ALA . 16.7 m -139.76 173.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.578 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 19.5 m-85 -118.3 165.74 13.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 59' ' ' GLN . 95.5 mt -143.77 129.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HG2' ' CG ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -137.77 114.16 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 74' ' ' GLU . 11.1 t -65.96 88.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 73' ' ' THR . 15.0 t -50.83 90.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.518 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 171.01 -60.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.4 p -79.88 -117.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.67 57.79 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.461 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -159.93 171.98 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 0.805 . . . . 0.0 110.24 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 71' ' ' LYS . 6.0 m-85 -127.93 144.88 51.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.569 HD23 HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -54.13 146.74 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.518 ' H ' HD13 ' A' ' 79' ' ' LEU . . . -163.15 166.05 23.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.563 ' CE ' HG21 ' A' ' 137' ' ' THR . 0.0 OUTLIER -140.49 95.48 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.466 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 62.5 m-20 -49.86 174.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.554 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 24.1 m -63.82 -11.48 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.1 -6.26 59.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.57 ' HA3' ' CE3' ' A' ' 121' ' ' TRP . . . 68.51 22.15 74.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.41 HD12 HH11 ' A' ' 133' ' ' ARG . 5.2 tt -101.29 105.92 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.853 HD21 HG23 ' A' ' 123' ' ' VAL . 10.8 mp -41.61 123.96 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.466 ' CZ ' ' OD1' ' A' ' 82' ' ' ASP . 3.1 p90 -150.29 158.28 43.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -90.86 146.37 18.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.19 126.57 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.88 4.24 17.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' A' ' 92' ' ' THR . 10.1 p -114.38 94.41 35.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.534 1.807 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 96' ' ' GLU . 3.4 m120 -154.57 -156.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 66.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' ASN . 48.5 tt0 -176.06 -51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 78' ' ' TYR . 4.8 t -67.77 -39.16 84.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 108.262 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.945 HD22 ' HB2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -47.34 172.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.47 118.1 5.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.592 HD13 ' HB1' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -61.5 101.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 1.2 tm-20 -112.73 150.86 30.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.661 HH21 HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -147.41 -90.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.6 120.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.747 ' OE2' HD21 ' A' ' 145' ' ' LEU . 4.0 tm-20 -97.53 -41.46 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.7 tt0 -130.07 -104.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.572 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.1 t-20 -158.94 50.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.4 m80 179.84 -62.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.727 ' CE2' HD23 ' A' ' 145' ' ' LEU . 29.7 m-85 -54.1 -167.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.42 ' ND2' ' OE2' ' A' ' 101' ' ' GLU . 25.6 m120 -158.65 54.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.498 ' CG2' HG13 ' A' ' 144' ' ' ILE . 65.8 p -47.2 100.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.571 ' OH ' HD22 ' A' ' 60' ' ' LEU . 8.9 m-85 -80.81 -173.0 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.929 HD11 ' CZ ' ' A' ' 122' ' ' PHE . 5.0 mt -159.38 114.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 112' ' ' ILE . 2.6 p -34.18 98.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' ILE . 13.7 tttm -56.13 -17.41 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -11.83 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.685 ' ND1' ' CZ3' ' A' ' 121' ' ' TRP . 0.9 OUTLIER -145.11 37.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.592 ' HB1' HD13 ' A' ' 100' ' ' LEU . . . -71.46 -19.53 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.49 -27.54 67.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -103.83 1.02 31.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 59.5 33.88 22.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.685 ' CZ3' ' ND1' ' A' ' 116' ' ' HIS . 28.7 m0 -67.42 73.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 107.965 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.929 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 14.0 m-85 -50.27 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.853 HG23 HD21 ' A' ' 87' ' ' LEU . 11.3 p -126.67 96.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.94 126.78 1.62 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 1.025 HD21 HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.12 120.76 21.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.44 123.47 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.1 60.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 126' ' ' LYS . 10.0 m120 -156.61 -43.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.554 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 138.94 70.83 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.38 139.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 51.6 t -86.93 156.23 19.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -109.72 158.01 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.41 HH11 HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -138.37 117.51 12.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.558 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 93.91 -142.43 16.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.455 ' HA ' ' NE1' ' A' ' 121' ' ' TRP . 18.2 Cg_endo -75.0 69.69 5.49 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.474 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 1.2 mpt_? -158.34 25.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.563 HG21 ' CE ' ' A' ' 81' ' ' MET . 2.6 t -141.75 77.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 139' ' ' TYR . 17.6 m80 -125.18 -179.28 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.498 HG13 ' CG2' ' A' ' 110' ' ' THR . 4.3 pt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.747 HD21 ' OE2' ' A' ' 104' ' ' GLU . 7.9 mp -67.78 101.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.72 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 8.0 m-85 -111.69 119.59 39.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.527 HD22 ' HD2' ' A' ' 148' ' ' PRO . 0.6 OUTLIER -106.42 102.32 40.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.527 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.2 Cg_endo -75.0 132.25 15.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 149' ' ' LEU . 2.9 pp -125.24 74.07 67.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.896 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.98 169.13 23.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' A' ' 149' ' ' LEU . 0.9 OUTLIER -148.42 122.14 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 1.1 mt -70.17 154.44 41.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.59 1.181 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.477 ' HB2' ' CD2' ' A' ' 149' ' ' LEU . 20.7 t80 -142.83 124.73 15.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 145' ' ' LEU . 0.1 OUTLIER -70.71 142.75 51.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.334 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 28.2 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 5.1 m80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 87.6 m-85 -127.7 105.37 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -41.29 141.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.522 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 2.5 ptp180 -139.96 147.26 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.596 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -132.02 149.76 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -109.32 145.65 32.29 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 2.69 6.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.57 -48.13 7.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.38 46.86 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.535 ' CG2' HD23 ' A' ' 40' ' ' LEU . 1.4 m -142.65 168.64 19.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.536 HG13 HG12 ' A' ' 39' ' ' ILE . 1.6 t -146.4 166.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 178.66 -170.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.842 ' HA3' HD22 ' A' ' 125' ' ' LEU . . . -129.89 160.24 22.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.507 HG21 HH21 ' A' ' 38' ' ' ARG . 24.9 m -140.64 122.66 15.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -51.51 -20.72 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -151.43 127.56 10.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 2.3 ptt180 -55.7 111.6 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 t 179.96 69.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.522 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.7 t0 -137.7 -173.14 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -52.74 -45.16 66.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.55 ' CD2' ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -175.82 96.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.626 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -99.19 11.18 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -57.35 134.89 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -131.97 175.87 8.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 1.8 tt0 -178.75 131.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.574 HD21 ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -90.94 160.82 15.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ALA . 9.1 t -145.16 55.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.22 125.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.823 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -117.25 -0.77 11.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 160.33 131.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.2 137.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.541 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 80.68 -7.5 58.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.87 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.9 tt0 -150.69 104.33 3.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.903 ' O ' HD23 ' A' ' 98' ' ' LEU . 33.2 m -124.36 165.32 21.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 9.1 m-85 -116.82 167.62 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.791 HD12 ' HD2' ' A' ' 99' ' ' PHE . 98.2 mt -143.91 126.72 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.648 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.7 OUTLIER -130.25 123.49 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.648 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 17.4 t -70.96 64.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 73' ' ' THR . 7.6 t -34.56 101.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.55 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 6.2 tp10 174.22 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -48.43 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.73 60.08 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -119.19 122.18 41.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 60.8 m-85 -100.09 112.29 24.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.522 HD13 ' H ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -46.82 157.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.685 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -178.44 170.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.492 ' HE2' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -137.76 124.15 20.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -79.19 176.25 9.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.521 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 21.0 m -58.17 -16.13 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.98 11.04 21.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.406 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 50.35 30.15 17.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 tt -104.88 112.05 25.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.492 HD12 ' HE2' ' A' ' 81' ' ' MET . 9.5 mp -42.14 128.52 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.464 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.3 p90 -152.06 149.91 29.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.23 144.38 16.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.81 160.28 41.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.045 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.86 38.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 68.0 p -145.96 92.9 5.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 97' ' ' CYS . 18.2 Cg_endo -75.05 89.07 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -128.16 -175.85 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.19 -34.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.4 ' OE2' ' OH ' ' A' ' 88' ' ' TYR . 18.1 tt0 -65.8 -61.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.685 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 18.0 m -49.43 -34.72 17.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.903 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.4 OUTLIER -55.89 171.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.791 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -149.92 101.18 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.774 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -49.59 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.08 145.16 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.422 ' NH2' ' CZ ' ' A' ' 122' ' ' PHE . 71.5 mtm180 -135.73 -100.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.53 122.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.608 ' HG2' HD11 ' A' ' 145' ' ' LEU . 3.7 tp10 -100.54 -46.68 5.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.447 ' CG ' ' HG3' ' A' ' 104' ' ' GLU . 1.9 mt-10 -121.43 -117.04 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.567 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 19.0 t30 -153.43 52.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 5.0 m-70 -170.78 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 6.5 m-85 -70.61 -158.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.617 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 10.8 m120 -164.21 57.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 p -39.56 153.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -135.42 179.65 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.715 HD12 ' CE1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -154.91 133.14 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.577 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 6.5 t -40.2 100.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.774 ' HG2' HD12 ' A' ' 100' ' ' LEU . 3.5 tmtm? -64.81 -24.61 67.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.559 ' HE3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -67.64 -26.91 66.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.577 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -160.3 66.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.647 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.98 -1.23 24.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.59 -4.16 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -119.49 2.4 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.573 ' CA ' HD11 ' A' ' 112' ' ' ILE . 0.7 OUTLIER 57.13 37.0 28.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.904 ' HA ' HG23 ' A' ' 137' ' ' THR . 38.5 m0 -69.93 77.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.715 ' CE1' HD12 ' A' ' 112' ' ' ILE . 11.5 m-85 -61.19 179.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' ' 123' ' ' VAL . 8.3 p -120.03 100.17 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 144' ' ' ILE . . . -161.0 138.52 5.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.842 HD22 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -95.56 115.02 26.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 125' ' ' LEU . 6.2 tttt -24.6 125.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -64.76 60.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -155.58 -41.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.27 74.14 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 t 169.5 132.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 110.025 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.24 168.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -112.64 174.86 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.158 . . . . 0.0 109.249 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 134' ' ' GLY . 1.7 mmm180 -118.99 153.88 33.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.811 ' O ' HG22 ' A' ' 137' ' ' THR . . . -35.23 -64.03 0.51 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.98 51.67 2.84 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 168.63 41.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.904 HG23 ' HA ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -136.51 67.04 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.368 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -125.96 152.51 45.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.626 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.737 ' O ' ' CD2' ' A' ' 139' ' ' TYR . 40.4 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 139' ' ' TYR . 32.0 pt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.608 HD11 ' HG2' ' A' ' 104' ' ' GLU . 1.4 mp -58.53 92.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.483 ' CE2' ' O ' ' A' ' 123' ' ' VAL . 14.1 m-85 -107.42 119.07 38.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.661 HD23 ' N ' ' A' ' 148' ' ' PRO . 4.5 tt -111.35 124.01 33.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.661 ' N ' HD23 ' A' ' 147' ' ' LEU . 18.4 Cg_endo -74.95 131.46 14.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -130.24 64.33 72.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.722 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 165.04 32.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.454 1.766 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 150' ' ' PRO . 6.3 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HE3' ' CA ' ' A' ' 27' ' ' LEU . 1.1 tptt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.636 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -175.23 139.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.024 HD21 ' HB3' ' A' ' 146' ' ' PHE . 1.8 tt -96.47 160.38 14.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.797 ' H ' HD23 ' A' ' 28' ' ' LEU . 51.2 t80 -153.89 151.94 30.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.463 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 2.9 m -103.77 149.87 24.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 108' ' ' TYR . 1.4 p . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 7.4 m80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CD1' ' HA ' ' A' ' 50' ' ' ASP . 17.6 m-85 -127.36 91.34 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.789 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -33.52 146.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.615 HH21 HG21 ' A' ' 48' ' ' THR . 10.7 ptp180 -138.76 153.05 48.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.793 HD11 HD13 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -130.34 114.47 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.621 HD12 HG22 ' A' ' 44' ' ' THR . 0.5 OUTLIER -90.72 138.89 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.96 9.35 2.04 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -29.57 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.52 15.59 5.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.621 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -118.38 130.91 56.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.378 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.508 HG11 HD11 ' A' ' 79' ' ' LEU . 1.8 t -112.98 165.77 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 170.08 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.668 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -125.92 169.24 17.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.615 HG21 HH21 ' A' ' 38' ' ' ARG . 20.9 m -145.58 124.52 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.497 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -39.6 -32.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.597 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 2.4 m-20 -160.11 118.88 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -31.03 93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -122.2 33.67 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.582 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -135.41 174.83 10.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.47 -30.29 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.528 ' CD2' ' H ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -118.97 82.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.609 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.582 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -130.39 18.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -79.04 162.98 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -148.14 177.16 9.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.865 ' O ' HG23 ' A' ' 70' ' ' ILE . 7.5 tp-100 -170.5 147.78 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.743 HD23 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -119.56 158.69 25.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.0 t -143.89 53.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.503 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -39.84 126.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.74 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -118.44 0.22 11.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 159.67 126.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.413 HG22 ' H ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -39.63 142.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.67 4.49 81.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.888 ' OE2' HD13 ' A' ' 98' ' ' LEU . 4.3 tt0 -168.35 106.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.731 ' C ' HD23 ' A' ' 98' ' ' LEU . 29.7 m -126.76 164.17 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.45 ' CB ' ' HB3' ' A' ' 61' ' ' SER . 12.7 m-85 -109.81 168.82 9.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 59' ' ' GLN . 17.8 mt -147.34 126.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -112.18 133.9 54.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.601 ' HB2' HD13 ' A' ' 39' ' ' ILE . 5.9 t -71.96 70.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -45.09 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 73' ' ' THR . 0.7 OUTLIER 159.68 -38.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.477 HG21 ' HB3' ' A' ' 41' ' ' PRO . 25.3 p -119.28 -124.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -145.43 16.17 1.86 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.493 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -101.55 -161.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 49.0 m-85 -151.17 174.56 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.793 HD13 HD11 ' A' ' 39' ' ' ILE . 7.3 tp -92.52 161.78 14.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.484 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . . . -177.21 -175.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 2.3 ttt -147.94 94.44 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.527 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 40.0 m-20 -52.64 168.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.404 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 2.8 m -58.95 -16.6 18.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -81.08 3.07 24.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.508 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 59.91 16.55 39.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -97.74 109.07 21.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 0.811 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.012 HD21 HG23 ' A' ' 123' ' ' VAL . 4.2 mp -38.85 119.35 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.527 ' CG ' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -144.03 165.24 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.04 156.5 15.9 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.07 156.65 40.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -90.37 29.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.3 p -134.13 88.67 30.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 99.67 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.6 m120 -156.32 -152.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -66.36 69.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 94' ' ' ASN . 27.8 tt0 -177.94 -43.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 5.1 t -76.71 -26.73 55.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.888 HD13 ' OE2' ' A' ' 67' ' ' GLU . 0.5 OUTLIER -59.55 172.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.4 105.07 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.742 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -46.31 98.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 8.6 tt0 -79.42 161.61 26.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.74 78.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' A' ' 106' ' ' ASN . 19.3 tp -31.43 95.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.687 ' CD ' HD21 ' A' ' 145' ' ' LEU . 1.7 tm-20 -51.8 -40.44 60.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.8 tt0 -130.11 -107.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.81 ' HA ' HD21 ' A' ' 103' ' ' LEU . 4.4 t30 -139.98 40.51 1.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.754 ' N ' HD11 ' A' ' 103' ' ' LEU . 1.8 m-70 -178.29 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.62 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 15.2 m-85 -54.17 129.24 34.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.623 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 14.1 m-20 -105.32 85.02 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.773 ' CG2' HD23 ' A' ' 145' ' ' LEU . 69.5 p -75.18 94.85 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.743 ' OH ' HD23 ' A' ' 60' ' ' LEU . 17.1 m-85 -78.62 -172.84 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -165.7 123.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.488 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 59.5 p -34.57 99.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.742 ' HG2' HD12 ' A' ' 100' ' ' LEU . 4.7 tmtm? -64.37 -22.62 67.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -71.3 -6.72 41.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 113' ' ' SER . 0.2 OUTLIER 179.85 67.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.479 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -85.23 -2.35 57.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -68.18 -17.66 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 6.5 mttt -101.85 -1.77 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 69.08 20.59 7.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 35.2 m0 -60.21 107.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 112' ' ' ILE . 16.1 m-85 -89.02 -176.27 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 1.012 HG23 HD21 ' A' ' 87' ' ' LEU . 6.3 p -117.83 12.65 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.534 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -82.72 107.23 2.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.789 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -62.12 119.46 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.628 ' O ' ' N ' ' A' ' 128' ' ' ASN . 30.6 tttt -24.47 118.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.26 61.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.628 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -143.1 -45.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 125.76 68.07 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 168.73 128.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 110.041 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.7 t -41.52 158.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 108.33 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.453 ' HE3' ' CD ' ' A' ' 136' ' ' ARG . 32.5 tptt -129.11 160.29 33.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.425 ' NE ' ' HG2' ' A' ' 135' ' ' PRO . 10.2 ptm180 -95.5 156.11 16.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -39.56 -55.59 2.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.425 ' HG2' ' NE ' ' A' ' 133' ' ' ARG . 18.3 Cg_endo -75.04 63.17 6.01 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.453 ' CD ' ' HE3' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 169.65 39.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.448 ' OG1' ' HA ' ' A' ' 121' ' ' TRP . 4.4 p -145.25 92.65 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.6 OUTLIER -139.8 172.25 13.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.44 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.539 HD12 ' CE1' ' A' ' 122' ' ' PHE . 3.9 pt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.773 HD23 ' CG2' ' A' ' 110' ' ' THR . 68.2 mt -68.8 105.0 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 1.024 ' HB3' HD21 ' A' ' 28' ' ' LEU . 14.0 m-85 -116.17 124.46 50.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.728 ' O ' HD23 ' A' ' 149' ' ' LEU . 1.1 tm? -106.61 102.29 40.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.517 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.4 Cg_endo -75.01 131.36 14.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.2 OUTLIER -129.74 68.9 81.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.844 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 164.99 32.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.504 ' CE ' ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -158.55 123.88 4.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.857 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -93.85 163.74 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.81 ' H ' HD23 ' A' ' 28' ' ' LEU . 12.8 t80 -154.91 153.1 30.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.647 ' SG ' HD13 ' A' ' 125' ' ' LEU . 34.2 m -88.46 153.0 21.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.646 ' CD2' ' N ' ' A' ' 49' ' ' ARG . 2.6 m80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.605 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 35.6 m-85 -115.23 98.06 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.862 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -38.74 152.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.459 ' HD3' ' CA ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -141.06 149.05 41.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.837 HD11 HD13 ' A' ' 79' ' ' LEU . 1.1 tp -123.56 112.88 35.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.863 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -91.03 141.25 26.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.03 7.5 2.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -92.66 -30.53 15.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.2 28.31 2.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.863 ' HB ' HD12 ' A' ' 40' ' ' LEU . 4.4 m -124.55 158.33 33.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 110.427 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 46' ' ' ASP . 2.2 t -129.19 169.65 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 174.02 -170.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.459 ' CA ' ' HD3' ' A' ' 38' ' ' ARG . . . -141.28 155.69 25.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.457 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 6.3 m -135.75 125.45 25.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.646 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -34.64 -46.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' SER . 58.2 m-20 -142.44 122.15 13.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.605 ' CD ' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -33.79 96.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' ASP . 3.8 t -143.25 50.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.976 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.523 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -123.8 -170.97 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.14 -39.27 23.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.27 99.38 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.523 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -114.3 20.52 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.2 mp0 -71.39 129.07 37.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -130.54 132.31 45.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.781 ' OE1' HD12 ' A' ' 60' ' ' LEU . 8.4 tp-100 -120.13 154.47 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.817 HD12 ' H ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -118.8 165.31 14.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 6.7 t -145.26 51.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.26 125.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.629 ' HG2' HD21 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -114.0 -3.93 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.07 140.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.52 138.15 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 78.29 1.49 81.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.682 ' HG2' HD22 ' A' ' 98' ' ' LEU . 2.1 tt0 -157.49 104.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.948 ' O ' HD23 ' A' ' 98' ' ' LEU . 7.4 m -126.94 162.51 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.536 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 11.5 m-85 -119.27 163.43 17.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 59' ' ' GLN . 13.1 mt -145.58 124.74 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -129.14 128.94 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.501 ' CB ' HG21 ' A' ' 39' ' ' ILE . 1.9 t -62.05 93.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.543 HG23 ' CB ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -52.8 89.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 73' ' ' THR . 2.1 tp10 160.62 -60.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 74' ' ' GLU . 7.7 p -99.52 -135.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -142.96 61.95 0.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.18 132.03 45.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 93' ' ' PRO . 65.8 m-85 -106.73 112.43 25.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.837 HD13 HD11 ' A' ' 39' ' ' ILE . 4.8 tp -42.36 160.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.639 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -177.89 178.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.453 ' CB ' ' HB3' ' A' ' 113' ' ' SER . 0.0 OUTLIER -140.34 103.78 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.43 ' OD2' ' CG ' ' A' ' 88' ' ' TYR . 36.8 m-20 -61.09 171.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -64.67 -14.53 58.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -5.92 44.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.479 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 73.22 17.48 78.81 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 87' ' ' LEU . 1.9 tt -110.89 127.6 55.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.932 HD21 HG23 ' A' ' 123' ' ' VAL . 7.2 mp -55.41 136.95 49.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -160.16 150.8 18.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -101.74 154.18 18.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.72 153.78 41.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -78.78 2.64 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.0 p -115.72 94.28 40.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.511 ' HB3' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.98 88.48 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' CYS . 5.7 m120 -127.55 -175.15 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.45 -39.36 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.473 ' CG ' ' HG3' ' A' ' 115' ' ' LYS . 47.3 tt0 -61.69 -50.81 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.639 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 16.8 m -64.9 -24.25 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.948 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.3 mt -67.26 173.06 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.596 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -150.66 124.93 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -66.77 104.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.576 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 0.9 OUTLIER -110.61 146.8 35.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.6 -94.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.517 ' HA ' HD23 ' A' ' 103' ' ' LEU . 0.0 OUTLIER 178.38 117.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.755 ' CD ' HD22 ' A' ' 145' ' ' LEU . 3.4 tm-20 -96.71 -35.52 10.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 1.3 mm-40 -130.34 -100.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.56 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 6.2 m120 -170.23 40.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 19.3 m-70 -166.48 -61.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.621 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.587 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 11.1 m-85 -65.02 -164.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.629 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 8.8 m120 -158.16 82.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.551 ' CG2' HG13 ' A' ' 144' ' ' ILE . 70.1 p -72.14 99.08 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 6.2 m-85 -81.09 -175.54 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.3 mt -156.27 131.79 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 81' ' ' MET . 1.6 p -49.87 91.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 100' ' ' LEU . 9.8 tttm -50.39 -42.12 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.473 ' HG3' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -45.55 -26.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 81' ' ' MET . 0.2 OUTLIER -166.25 75.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.586 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.428 ' CB ' HG22 ' A' ' 112' ' ' ILE . . . -91.39 -0.08 57.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -64.72 -20.48 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.3 OUTLIER -105.06 3.9 30.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' PHE . 1.0 OUTLIER 64.75 19.03 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.0 m0 -53.97 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.71 ' CE2' HD12 ' A' ' 144' ' ' ILE . 10.6 m-85 -69.63 -170.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.932 HG23 HD21 ' A' ' 87' ' ' LEU . 4.0 p -124.24 44.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.649 ' C ' HD12 ' A' ' 125' ' ' LEU . . . -95.39 -173.2 36.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.835 HD21 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -151.88 121.67 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.3 tttt -36.89 125.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.512 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.09 59.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 126' ' ' LYS . 14.2 m120 -144.76 -43.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.558 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 137.82 61.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.0 m -179.46 140.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 110.022 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.488 ' SG ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -58.69 168.58 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.317 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.799 ' HB3' HG23 ' A' ' 137' ' ' THR . 1.5 mttt -102.68 131.35 49.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -79.95 153.92 28.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.619 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -37.02 -62.7 0.82 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.04 53.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.56 40.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -128.76 55.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -122.87 141.72 51.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.748 ' HB2' HD11 ' A' ' 144' ' ' ILE . 8.0 p90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 139' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.755 HD22 ' CD ' ' A' ' 104' ' ' GLU . 0.2 OUTLIER -57.69 100.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.862 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 4.4 m-85 -89.04 121.23 31.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -102.36 105.52 43.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.01 130.37 13.2 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.494 HD11 HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -134.31 62.98 58.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.666 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.02 164.96 32.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.797 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 150' ' ' PRO . 14.4 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 3.0 tptt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 149' ' ' LEU . 0.3 OUTLIER -167.68 123.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.5 OUTLIER -76.82 148.43 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.586 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 6.5 t80 -136.84 141.62 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.586 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 4.2 m -75.83 144.51 41.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.856 ' HB3' HD23 ' A' ' 145' ' ' LEU . 1.9 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.05 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 24.2 m80 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 83.9 m-85 -134.2 95.99 3.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.939 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -34.24 148.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.519 ' NH2' HG21 ' A' ' 48' ' ' THR . 4.5 ptp180 -146.48 145.27 30.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.596 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.8 OUTLIER -125.86 119.84 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.698 HD12 HG22 ' A' ' 44' ' ' THR . 0.8 OUTLIER -86.61 142.59 34.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HA ' ' NE2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.98 8.47 2.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.85 -27.53 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.87 11.88 6.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.698 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -118.82 132.15 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 110.388 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.5 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.2 164.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.597 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 178.83 -176.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.959 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -120.24 179.96 16.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.519 HG21 ' NH2' ' A' ' 38' ' ' ARG . 57.5 m -156.84 123.76 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -45.43 -25.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -150.93 127.86 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -55.48 113.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -179.85 68.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.518 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 6.4 t0 -137.3 -172.48 3.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -54.84 -44.69 74.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.557 ' CG ' ' CD ' ' A' ' 74' ' ' GLU . 1.8 m-70 -173.87 98.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.633 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.443 ' C ' HD13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -101.34 11.33 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.415 ' OE1' ' ND1' ' A' ' 55' ' ' HIS . 3.6 mp0 -55.0 130.55 42.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.56 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.1 mt -127.45 179.23 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.547 ' O ' HG23 ' A' ' 70' ' ' ILE . 3.1 tp-100 -179.59 148.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.463 HD13 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -116.07 158.76 22.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.3 t -142.83 54.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -37.74 131.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -128.39 1.23 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.515 ' O ' ' O ' ' A' ' 67' ' ' GLU . 1.3 m 157.62 120.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -36.16 150.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.483 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 66.87 10.52 55.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.734 ' HG2' HD12 ' A' ' 98' ' ' LEU . 3.9 tt0 -175.35 104.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.288 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.875 ' O ' HD13 ' A' ' 98' ' ' LEU . 35.3 m -127.74 170.81 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.816 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 10.7 m-85 -109.33 171.18 7.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.601 HD12 ' HD2' ' A' ' 99' ' ' PHE . 18.1 mt -154.3 127.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.646 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -129.76 113.91 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.646 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 1.4 t -65.45 81.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -35.18 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.557 ' CD ' ' CG ' ' A' ' 55' ' ' HIS . 2.4 mm-40 175.74 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -113.76 59.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.41 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 34.08 35.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.491 ' OE1' HG23 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -87.37 105.27 17.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.27 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.476 ' O ' ' CA ' ' A' ' 89' ' ' GLY . 59.4 m-85 -84.81 148.54 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.566 ' CD2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -85.22 142.08 29.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -163.29 178.28 8.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.84 ' HG3' HD12 ' A' ' 87' ' ' LEU . 1.5 ttt -145.74 107.93 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.564 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 61.9 m-20 -65.21 173.65 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.405 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 16.3 m -60.08 -16.43 31.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.88 7.03 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.481 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 55.95 17.49 16.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.11 106.39 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.84 HD12 ' HG3' ' A' ' 81' ' ' MET . 2.6 mp -39.01 135.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.564 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -165.83 165.14 18.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.33 160.66 14.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.06 163.59 33.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -88.44 38.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.4 p -136.75 89.39 17.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.367 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -158.59 -164.05 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.49 -40.4 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.408 ' CD ' ' HH ' ' A' ' 88' ' ' TYR . 10.0 tt0 -59.65 -68.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 6.2 t -54.06 -41.9 68.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 108.267 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.875 HD13 ' O ' ' A' ' 68' ' ' VAL . 2.6 mm? -48.13 166.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.601 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -150.17 99.6 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.679 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -39.86 99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.656 ' HB2' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -95.17 161.77 13.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.785 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -179.53 91.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -20.21 102.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.5 ' OE1' ' CG ' ' A' ' 105' ' ' GLU . 3.0 tm-20 -66.93 -39.77 87.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.5 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 0.6 OUTLIER -130.12 -97.17 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 2.9 t-20 -164.94 49.31 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 2.1 m-70 -176.02 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.556 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.72 ' CD2' HD11 ' A' ' 145' ' ' LEU . 3.4 m-85 -68.88 -160.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.535 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 24.5 m120 -167.29 40.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 144' ' ' ILE . 31.8 p -42.78 153.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.663 ' CD1' ' N ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -135.18 -178.57 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.161 HD11 ' CE1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -150.97 125.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.561 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 8.1 t -30.97 101.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.679 ' HG2' HD12 ' A' ' 100' ' ' LEU . 2.0 tmtm? -68.52 -28.98 67.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.93 -11.38 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.561 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -177.05 63.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 112' ' ' ILE . . . -78.14 -7.31 56.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.68 -14.66 14.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.3 OUTLIER -111.1 5.53 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 122' ' ' PHE . 29.3 m120 55.95 34.96 24.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.61 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.1 m0 -66.22 77.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 1.161 ' CE1' HD11 ' A' ' 112' ' ' ILE . 2.3 m-85 -56.31 165.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.583 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 4.2 p -107.9 82.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -153.38 127.39 2.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.959 HD22 ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.3 125.67 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 0.726 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.613 ' C ' ' O ' ' A' ' 125' ' ' LEU . 27.9 tttt -22.13 124.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.525 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.12 59.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 126' ' ' LYS . 3.1 t-20 -151.37 -46.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.481 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 139.83 63.62 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 168.92 128.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.42 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.6 tptt -150.75 148.48 28.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 134' ' ' GLY . 44.2 ttt180 -69.12 158.09 35.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.78 -57.18 1.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.99 59.17 5.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 173.12 39.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.579 HG21 ' HE1' ' A' ' 81' ' ' MET . 8.0 t -154.78 98.93 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -140.24 -147.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 110' ' ' THR . 19.8 pt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.856 HD23 ' HB3' ' A' ' 31' ' ' SER . 5.5 tp -68.77 78.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.93 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 9.5 m-85 -94.66 129.45 41.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -120.39 128.74 25.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.561 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.2 Cg_endo -75.0 128.08 11.2 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -130.15 55.07 16.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.81 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 -168.39 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.796 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.81 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -162.11 144.24 11.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.07 152.78 19.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.489 ' HB2' HD21 ' A' ' 149' ' ' LEU . 38.6 t80 -135.0 150.26 50.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.2 145.94 36.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.279 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.496 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 80.4 m80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 71.4 m-85 -132.34 96.43 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.842 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -37.37 154.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -144.9 162.21 37.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.791 HD11 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -130.85 108.97 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -86.0 141.72 35.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.1 Cg_endo -75.03 9.91 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.571 1.827 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 40' ' ' LEU . 1.4 t70 -95.39 -30.24 14.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.71 19.74 5.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.632 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -121.11 131.76 54.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.539 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.61 166.48 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.658 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 175.06 -170.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.729 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -130.49 153.32 20.14 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -128.82 126.88 40.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.374 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' THR . 1.9 tmt_? -37.94 -47.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -139.89 112.49 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -31.5 115.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -172.57 64.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.062 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.456 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 3.7 t0 -134.8 -174.88 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.476 ' NE2' ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -66.22 -18.56 65.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.614 ' CD2' ' HG3' ' A' ' 74' ' ' GLU . 0.3 OUTLIER 174.15 111.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.553 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.875 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.72 14.76 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.04 148.56 35.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.3 mp -147.38 175.84 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -173.95 142.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.96 160.26 16.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 6.5 t -143.36 51.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.68 124.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.611 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -115.49 -0.42 13.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 165.6 175.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 65' ' ' VAL . 3.9 m -72.42 152.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 49.66 24.64 5.98 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.896 ' OE2' HD13 ' A' ' 98' ' ' LEU . 4.1 tt0 -169.12 107.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.781 ' O ' HD23 ' A' ' 98' ' ' LEU . 5.2 m -133.34 161.8 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.5 ' CE2' ' SG ' ' A' ' 97' ' ' CYS . 17.2 m-85 -111.81 164.05 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 59' ' ' GLN . 27.3 mt -146.23 131.15 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -137.93 104.57 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.519 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 2.3 t -61.94 79.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 73' ' ' THR . 15.0 t -49.76 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.614 ' HG3' ' CD2' ' A' ' 55' ' ' HIS . 3.2 mm-40 164.03 -46.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -105.57 -27.15 11.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.87 35.01 13.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -112.06 119.29 37.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 110.266 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CD1' ' HB3' ' A' ' 93' ' ' PRO . 49.3 m-85 -80.29 103.88 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.791 HD13 HD11 ' A' ' 39' ' ' ILE . 6.5 tp -38.73 145.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.683 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -166.52 -177.46 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.794 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -143.62 92.74 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.506 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 11.5 m-20 -44.14 166.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.706 HG23 ' HE2' ' A' ' 115' ' ' LYS . 1.1 p -61.16 -14.07 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.76 8.85 18.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.553 ' CA ' ' CE3' ' A' ' 121' ' ' TRP . . . 57.72 28.14 59.81 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' LEU . 2.1 tt -109.94 108.62 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.794 HD12 ' HG3' ' A' ' 81' ' ' MET . 5.1 mp -39.75 134.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.542 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -166.92 153.15 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.08 132.6 9.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 1.7 t -122.05 164.04 18.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -79.35 3.23 18.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 p -115.73 88.61 20.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HB3' ' CD1' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.02 104.63 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.447 ' N ' ' SG ' ' A' ' 97' ' ' CYS . 7.5 m120 -140.91 -174.51 4.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 94' ' ' ASN . 0.8 OUTLIER -35.89 -40.58 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.444 ' HB2' ' CD ' ' A' ' 115' ' ' LYS . 45.1 tt0 -61.5 -54.13 47.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.683 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 3.5 p -58.81 -38.85 79.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 108.318 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.896 HD13 ' OE2' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -50.47 174.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.3 120.98 6.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.587 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -61.46 98.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.582 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 6.5 tt0 -104.41 143.51 32.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.812 HH21 HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -144.53 -96.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.255 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 102' ' ' ARG . 1.9 tp 178.9 117.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.49 ' HG3' HD21 ' A' ' 145' ' ' LEU . 3.9 tm-20 -91.6 -43.95 9.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -130.05 -92.25 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.557 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 2.0 t-20 -179.12 58.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.557 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 14.1 m-70 179.97 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.548 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.24 -154.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.457 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 25.2 m-80 -168.23 66.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.496 ' CG2' HG13 ' A' ' 144' ' ' ILE . 76.8 p -55.6 99.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 101' ' ' GLU . 5.4 m-85 -81.3 -172.73 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.812 HD12 HH21 ' A' ' 102' ' ' ARG . 0.2 OUTLIER -163.46 119.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 81' ' ' MET . 6.8 t -35.03 101.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.574 ' HA ' HD12 ' A' ' 100' ' ' LEU . 17.3 tttm -57.46 -17.22 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.706 ' HE2' HG23 ' A' ' 83' ' ' THR . 0.0 OUTLIER -92.31 -3.33 55.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.735 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 1.3 m-70 -152.48 39.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.659 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.587 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -77.35 -1.2 28.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.49 -29.22 30.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 1.8 tttt -101.92 -0.04 34.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 65.45 28.61 11.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.735 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 34.3 m0 -64.55 78.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 112' ' ' ILE . 13.6 m-85 -54.21 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.701 HG23 HD21 ' A' ' 87' ' ' LEU . 5.1 p -122.9 17.8 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -88.91 107.58 3.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.842 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -61.31 118.8 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 128' ' ' ASN . 0.7 OUTLIER -22.77 116.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.494 ' O ' ' CE ' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -62.7 61.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.638 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.8 OUTLIER -141.12 -43.81 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.496 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.74 58.48 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.68 114.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.969 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -41.7 156.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.1 mptt -121.21 167.77 12.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 135' ' ' PRO . 21.8 ptt180 -96.0 165.49 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.612 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -35.1 -56.58 0.86 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.487 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.0 55.73 4.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 176.94 37.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.52 92.02 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 139' ' ' TYR . 6.3 m80 -148.82 172.22 15.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.465 ' CD1' HD11 ' A' ' 144' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.582 HD12 ' CE2' ' A' ' 122' ' ' PHE . 3.5 pt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.49 HD21 ' HG3' ' A' ' 104' ' ' GLU . 40.5 mt -65.11 90.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.488 ' CZ ' ' HA2' ' A' ' 124' ' ' GLY . 13.2 m-85 -105.09 116.96 32.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.587 HD23 ' HD2' ' A' ' 148' ' ' PRO . 0.0 OUTLIER -103.35 109.67 62.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.587 ' HD2' HD23 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.03 129.86 12.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.546 1.814 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.5 pp -133.27 63.74 66.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.854 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 -168.9 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.94 ' HG ' HD11 ' A' ' 149' ' ' LEU . 0.2 OUTLIER -155.89 107.61 2.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.007 HD21 ' HB3' ' A' ' 146' ' ' PHE . 2.7 tt -65.85 157.48 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.828 ' H ' HD23 ' A' ' 28' ' ' LEU . 7.3 t80 -157.74 156.17 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.727 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 59.5 m -80.11 166.52 21.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.566 ' HB2' ' CD1' ' A' ' 108' ' ' TYR . 3.1 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 49' ' ' ARG . 2.8 m80 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.632 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 57.1 m-85 -123.38 98.98 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.663 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 1.1 mt -29.9 141.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.533 ' HB2' HG22 ' A' ' 56' ' ' ILE . 1.6 ptp180 -145.52 157.22 44.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.815 HD12 HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -142.09 152.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.599 HD23 ' HB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -108.95 145.26 31.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 2.64 6.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.74 -53.47 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.04 45.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.599 ' HB ' HD23 ' A' ' 40' ' ' LEU . 1.7 m -142.48 169.41 17.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.429 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.815 HG13 HD12 ' A' ' 39' ' ' ILE . 1.4 t -144.67 164.58 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.667 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 174.29 -171.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.554 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -135.13 165.34 24.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.097 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.484 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 2.7 m -140.02 127.4 21.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.573 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -44.32 -33.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -144.48 115.36 7.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.594 ' NE ' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -35.98 122.25 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t 179.65 70.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.435 ' OD2' ' NE2' ' A' ' 54' ' ' GLN . 2.4 t0 -145.59 -178.23 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.483 ' NE2' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.98 -40.09 79.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 6.8 m-70 -172.99 105.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.571 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.541 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -111.2 31.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -79.83 123.45 27.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.655 HD13 ' HB3' ' A' ' 37' ' ' LEU . 4.9 mp -130.62 116.37 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -109.49 136.71 48.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.786 HD22 ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -96.39 162.36 13.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 7.1 t -143.02 50.2 1.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.414 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.38 128.74 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.586 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -119.41 -2.26 10.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.9 135.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.39 138.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' HA2' HD23 ' A' ' 100' ' ' LEU . . . 79.31 -3.56 66.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.839 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.6 tt0 -155.85 102.61 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.873 ' O ' HD23 ' A' ' 98' ' ' LEU . 34.8 m -127.2 164.66 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.56 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 19.1 m-85 -117.54 169.34 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.482 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 13.3 mt -146.41 133.66 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.676 ' HZ3' ' HA2' ' A' ' 76' ' ' GLY . 0.1 OUTLIER -139.86 94.32 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 77' ' ' GLN . 42.7 t -57.23 84.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 73' ' ' THR . 7.3 t -68.94 102.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 1.4 mm-40 164.44 -38.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.514 HG23 ' OE1' ' A' ' 77' ' ' GLN . 3.2 t -129.05 3.59 5.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.676 ' HA2' ' HZ3' ' A' ' 71' ' ' LYS . . . 65.62 76.27 0.34 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.514 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -148.77 144.4 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 19.6 m-85 -112.29 102.76 10.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 39' ' ' ILE . 4.3 tp -42.8 139.09 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -161.35 -175.54 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.555 ' HE1' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -154.27 113.33 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -76.71 177.23 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.0 p -59.45 -14.96 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.492 ' OD2' ' CZ ' ' A' ' 133' ' ' ARG . 2.8 t0 -85.5 8.65 18.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.13 27.08 5.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -105.05 107.1 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 0.814 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.029 HD21 HG23 ' A' ' 123' ' ' VAL . 2.8 mp -41.09 128.61 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.3 p90 -154.39 172.81 17.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -99.43 157.3 19.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.0 t -146.7 116.86 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -69.11 -5.82 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.4 p -114.76 99.61 52.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 101.7 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.6 m120 -157.26 -150.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.11 69.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CD ' ' HH ' ' A' ' 88' ' ' TYR . 27.2 tt0 -178.27 -54.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.3 t -68.1 -32.12 72.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.35 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -54.98 -179.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.805 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -160.79 122.84 3.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.53 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -62.63 104.78 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.57 ' HB2' HG13 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -84.32 160.06 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 110.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.548 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -173.05 79.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -28.57 96.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.7 tm-20 -61.4 -43.86 98.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -130.23 -105.04 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.558 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 5.7 t30 -143.32 36.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 1.7 m-70 -176.09 -66.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CD2' HD23 ' A' ' 145' ' ' LEU . 29.7 m-85 -53.41 133.68 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.64 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 59.9 m-20 -109.0 78.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.475 ' CG2' ' HG ' ' A' ' 145' ' ' LEU . 70.4 p -68.42 93.68 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.786 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 8.0 m-85 -81.27 -176.5 6.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.995 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -163.41 130.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.587 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 8.6 t -35.89 100.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.53 ' HG2' HD12 ' A' ' 100' ' ' LEU . 2.2 tmtm? -66.98 -26.66 66.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.427 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -65.31 -15.73 62.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.587 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -175.02 70.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.61 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.417 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -79.68 -8.04 58.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.09 -22.52 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 4.2 mttt -100.03 1.01 42.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 122' ' ' PHE . 30.5 m120 60.24 28.19 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 26.9 m0 -63.4 80.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 107.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.995 ' CE2' HD11 ' A' ' 112' ' ' ILE . 4.8 m-85 -62.1 177.32 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 1.029 HG23 HD21 ' A' ' 87' ' ' LEU . 5.9 p -113.75 20.95 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.484 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -92.35 105.03 3.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.667 HD22 ' C ' ' A' ' 46' ' ' ASP . 0.8 OUTLIER -59.33 116.09 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.649 ' O ' ' N ' ' A' ' 128' ' ' ASN . 2.0 tttt -22.29 115.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.534 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -62.46 61.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.649 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -135.24 -42.37 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.556 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 130.07 52.77 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 131' ' ' CYS . 1.5 m 169.63 135.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.426 ' SG ' HD23 ' A' ' 125' ' ' LEU . 2.9 t -47.52 171.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.432 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 6.6 tptt -150.25 148.79 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.492 ' CZ ' ' OD2' ' A' ' 84' ' ' ASP . 0.1 OUTLIER -70.76 153.46 42.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.551 ' C ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.42 -56.78 1.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -74.99 54.84 3.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.768 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 175.68 38.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.14 93.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.0 OUTLIER -131.0 -164.46 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.696 ' HA ' HD13 ' A' ' 144' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.956 HG13 HD12 ' A' ' 145' ' ' LEU . 19.1 pt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.956 HD12 HG13 ' A' ' 144' ' ' ILE . 7.4 mp -77.91 104.49 8.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 1.007 ' HB3' HD21 ' A' ' 28' ' ' LEU . 14.2 m-85 -112.44 125.57 54.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 107' ' ' HIS . 1.0 OUTLIER -110.22 98.73 36.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.415 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.3 Cg_endo -75.04 133.55 16.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.94 HD11 ' HG ' ' A' ' 27' ' ' LEU . 2.8 pp -123.83 73.64 54.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.749 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 174.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.811 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.641 ' O ' HD12 ' A' ' 27' ' ' LEU . 3.6 pp -168.47 123.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD22 ' HB3' ' A' ' 146' ' ' PHE . 0.7 OUTLIER -69.94 169.38 13.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.723 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 57.2 t80 -159.5 147.52 17.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.428 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -92.03 147.03 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 78.0 m80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 25.6 m-85 -109.84 89.76 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.833 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -36.82 152.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.575 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.99 -178.21 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.634 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -155.68 120.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.812 HD12 ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -105.34 142.11 24.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.673 ' HD3' ' CD2' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.06 5.17 4.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.35 -34.47 23.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.51 33.68 1.28 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.691 ' O ' HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -140.35 120.51 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 110.451 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -108.16 166.76 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.545 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 174.27 -170.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.901 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -133.42 122.27 3.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.491 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 1.1 m -89.92 136.97 32.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.36 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.16 -43.1 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.531 ' O ' ' C ' ' A' ' 51' ' ' ARG . 56.6 m-20 -146.93 112.95 5.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.605 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -25.67 92.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' ASP . 6.3 p -127.61 31.05 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.576 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -126.16 -178.08 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.16 -36.91 13.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.812 ' CE1' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.29 86.93 2.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.576 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -128.9 17.82 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 22.4 mp0 -84.83 162.35 19.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -147.53 165.14 31.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 3.8 tp60 -161.65 132.34 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.655 HD13 ' OH ' ' A' ' 111' ' ' TYR . 1.1 mt -93.63 160.03 14.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' ALA . 10.2 t -147.01 49.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.597 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -38.86 124.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -117.68 1.89 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 177.55 173.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.416 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -81.41 148.72 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.61 13.33 37.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.988 ' HB2' HD22 ' A' ' 98' ' ' LEU . 1.4 pm0 -166.94 118.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.798 HG11 ' OE1' ' A' ' 101' ' ' GLU . 27.6 m -134.97 164.51 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 18.8 m-85 -111.71 167.26 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.713 HD12 ' HD2' ' A' ' 99' ' ' PHE . 95.9 mt -142.8 126.05 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.609 ' CG ' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -129.53 92.86 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 t -54.11 95.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 73' ' ' THR . 13.5 t -54.52 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.82 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.494 HG21 HG23 ' A' ' 39' ' ' ILE . 30.0 p -80.27 -120.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.86 30.47 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.509 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -135.8 -169.08 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 71' ' ' LYS . 6.1 m-85 -138.85 131.49 28.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.461 ' HA ' HD12 ' A' ' 79' ' ' LEU . 5.3 tp -41.22 146.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.563 ' CB ' ' CE1' ' A' ' 88' ' ' TYR . . . -165.25 177.42 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.568 ' SD ' HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -147.83 88.78 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.536 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 16.1 m-20 -46.02 168.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.979 HG22 ' HE2' ' A' ' 115' ' ' LYS . 32.5 p -63.16 -11.83 23.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.395 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -78.28 -9.16 59.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.48 23.43 78.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 3.1 tt -112.06 111.7 22.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.568 HD12 ' SD ' ' A' ' 81' ' ' MET . 3.8 mp -39.38 134.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.563 ' CE1' ' CB ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -161.38 163.16 30.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.52 152.67 17.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 t -147.6 127.87 13.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 0.0 110.034 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.98 -1.1 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' A' ' 92' ' ' THR . 8.6 p -114.85 96.92 46.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.449 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 106.42 2.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' GLU . 4.0 m120 -149.88 -158.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.57 68.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' ASN . 24.3 tt0 -178.19 -59.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 5.2 t -61.44 -33.15 73.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.988 HD22 ' HB2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -55.21 173.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.713 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -149.51 113.17 5.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -56.71 98.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.798 ' OE1' HG11 ' A' ' 68' ' ' VAL . 11.7 tt0 -61.54 167.24 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 104' ' ' GLU . 4.3 mtm180 179.58 93.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.585 HD21 ' N ' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -58.61 83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.557 ' HG3' HD21 ' A' ' 145' ' ' LEU . 2.0 tm-20 -46.35 -45.98 17.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 1.6 tt0 -129.8 -102.7 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 16.4 t30 -141.7 36.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.655 ' HB3' HD23 ' A' ' 147' ' ' LEU . 2.1 m-70 -176.28 -59.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.412 ' HB3' ' HA ' ' A' ' 145' ' ' LEU . 6.3 m-85 -63.69 103.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.567 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 37.4 m-20 -85.8 64.72 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.874 ' CG2' HD23 ' A' ' 145' ' ' LEU . 40.7 p -51.24 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.404 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.655 ' OH ' HD13 ' A' ' 60' ' ' LEU . 43.6 m-85 -79.55 -167.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.79 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -169.52 119.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 112' ' ' ILE . 79.4 p -33.91 100.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.553 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -57.61 -17.44 14.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.979 ' HE2' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -89.18 -12.05 42.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.76 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 2.4 m-70 -143.1 39.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.53 -17.78 62.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -78.3 -20.04 52.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -102.38 -4.8 24.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.36 15.07 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.76 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 35.4 m0 -56.47 95.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 108.05 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.79 ' CE1' HD11 ' A' ' 112' ' ' ILE . 16.7 m-85 -74.35 -172.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 123' ' ' VAL . 4.3 p -121.52 13.48 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.493 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -84.92 105.88 2.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -60.07 121.0 10.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.5 tttt -24.58 119.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -64.33 60.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.605 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -140.65 -44.44 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.585 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.08 62.38 0.12 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.08 123.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.6 t -41.37 156.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 21.1 tptt -126.09 160.47 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.419 ' NE ' ' HG2' ' A' ' 135' ' ' PRO . 10.6 ptm180 -85.92 158.97 19.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -40.81 -57.04 2.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.419 ' HG2' ' NE ' ' A' ' 133' ' ' ARG . 18.3 Cg_endo -75.0 65.1 6.07 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.433 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 170.99 39.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 121' ' ' TRP . 7.4 p -146.98 96.98 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.452 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -141.84 175.83 9.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.612 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.446 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.516 HG13 ' CG2' ' A' ' 110' ' ' THR . 4.4 pt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.874 HD23 ' CG2' ' A' ' 110' ' ' THR . 45.1 mt -66.55 108.36 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.493 ' CZ ' ' HA2' ' A' ' 124' ' ' GLY . 12.6 m-85 -120.81 121.83 39.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 107' ' ' HIS . 1.4 tm? -111.83 102.64 54.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.535 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -74.99 142.31 27.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -129.29 68.85 80.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.881 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.97 171.43 18.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 27' ' ' LEU . 2.2 pp -174.73 113.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.86 165.84 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -158.01 129.46 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -73.07 152.07 41.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 108.33 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.011 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' NE2' ' C ' ' A' ' 128' ' ' ASN . 37.9 m80 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 53.2 m-85 -130.27 97.37 4.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.775 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -39.71 159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.87 159.19 42.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.602 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -132.19 110.78 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -88.15 139.71 30.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.494 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.97 11.38 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -95.79 -30.45 13.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.89 21.08 4.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 111.05 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.604 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -123.56 132.39 53.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -109.32 167.24 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.549 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 176.84 -168.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.79 154.2 21.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.456 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.2 m -132.69 131.6 41.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.71 -45.72 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.2 m-20 -139.74 112.4 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.575 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -29.82 121.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t 179.81 69.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 10.2 t0 -141.68 -174.28 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.469 HE22 HD23 ' A' ' 40' ' ' LEU . 3.5 pm0 -58.29 -34.76 70.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.8 108.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -110.37 15.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -64.94 111.26 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.544 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 5.3 mt -111.16 133.95 53.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.504 ' CB ' HG23 ' A' ' 73' ' ' THR . 1.9 tp60 -131.55 135.61 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.805 HD22 ' OH ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -103.71 163.19 12.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 t -139.3 54.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -40.8 125.91 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -114.82 -3.78 12.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.21 137.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -41.61 137.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 3.54 70.79 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.612 ' HG2' HD13 ' A' ' 98' ' ' LEU . 2.5 tt0 -157.15 104.97 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.865 ' O ' HD23 ' A' ' 98' ' ' LEU . 23.8 m -132.75 162.27 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.516 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 25.8 m-85 -117.41 170.31 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.4 mt -146.47 129.15 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -134.88 116.33 14.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.602 ' CB ' HG21 ' A' ' 39' ' ' ILE . 1.2 t -50.07 100.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.504 HG23 ' CB ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -55.75 77.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.587 ' N ' ' O ' ' A' ' 72' ' ' SER . 18.8 tp10 173.21 -73.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.494 HG21 ' HB3' ' A' ' 41' ' ' PRO . 10.1 p -89.84 -132.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.496 ' HA2' ' HZ3' ' A' ' 71' ' ' LYS . . . -140.77 42.37 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.81 115.88 30.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.791 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 41.6 m-85 -91.99 107.51 19.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.585 HD13 ' CD1' ' A' ' 39' ' ' ILE . 6.5 tp -42.81 150.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -171.66 -178.05 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.843 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.25 116.2 9.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 33.7 m-20 -72.05 171.97 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 p -58.88 -15.67 13.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.82 5.02 26.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.495 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 58.31 23.48 53.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -106.15 105.93 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.843 HD12 ' HG3' ' A' ' 81' ' ' MET . 1.4 mp -38.95 138.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 82' ' ' ASP . 3.1 p90 -165.75 154.36 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.08 151.44 19.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.46 158.86 44.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -90.35 31.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.4 p -135.07 89.47 23.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 102.91 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -157.65 -163.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.227 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -39.76 -41.11 1.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.458 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 9.1 tt0 -57.95 -74.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -44.37 -39.94 5.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 108.305 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.865 HD23 ' O ' ' A' ' 68' ' ' VAL . 5.5 mt -48.9 167.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.693 ' HZ ' HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -151.13 102.97 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -52.48 101.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.603 ' CD ' HG11 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -67.14 176.73 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 101' ' ' GLU . 6.7 mtm180 -179.69 94.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 108' ' ' TYR . 13.5 tp -55.84 87.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.599 ' OE1' HD22 ' A' ' 145' ' ' LEU . 0.6 OUTLIER -64.52 -56.89 11.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 0.7 OUTLIER -99.52 -121.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.567 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 36.4 p-10 -132.02 39.39 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 13.4 m-70 -179.99 -61.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.545 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 15.6 m-85 -43.05 153.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.613 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 48.8 m-80 -125.68 63.3 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.48 ' CG2' HG13 ' A' ' 144' ' ' ILE . 67.1 p -54.56 97.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.845 ' CE2' HG21 ' A' ' 68' ' ' VAL . 24.6 m-85 -79.56 -177.6 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -159.04 131.62 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.591 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 22.8 t -42.03 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.477 ' CD ' ' HG3' ' A' ' 67' ' ' GLU . 15.2 tttp -63.73 -24.02 67.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.519 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -66.83 -10.81 51.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.591 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.95 61.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.564 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.469 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -72.33 -14.69 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.13 -17.83 21.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.555 ' CD ' ' CZ2' ' A' ' 121' ' ' TRP . 0.2 OUTLIER -99.78 -2.26 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 137' ' ' THR . 30.7 m120 62.12 37.73 14.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 39.3 m0 -78.92 95.73 5.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CD2' HD12 ' A' ' 144' ' ' ILE . 14.0 m-85 -76.23 -179.77 5.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.767 HG23 HD21 ' A' ' 87' ' ' LEU . 7.6 p -113.62 36.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.486 ' C ' HD23 ' A' ' 125' ' ' LEU . . . -93.39 119.95 6.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 131' ' ' CYS . 2.2 mt -95.15 125.63 39.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 128' ' ' ASN . 74.7 tttt -36.84 131.49 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -69.34 58.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 126' ' ' LYS . 3.7 m120 -143.28 -45.55 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.52 71.39 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 169.98 120.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.552 ' HA ' HD13 ' A' ' 125' ' ' LEU . 24.5 t -49.47 156.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 131' ' ' CYS . 0.3 OUTLIER -98.77 168.4 10.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.415 ' CD ' ' HG2' ' A' ' 135' ' ' PRO . 2.5 ptp180 -99.14 151.35 21.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -38.44 -54.38 2.18 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.494 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -75.0 51.24 2.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.445 1.761 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.5 39.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.441 ' H ' ' CE1' ' A' ' 138' ' ' HIS . 0.2 OUTLIER -126.61 60.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.49 ' N ' ' ND1' ' A' ' 138' ' ' HIS . 0.1 OUTLIER -131.97 133.82 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.564 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.699 ' HB2' HD11 ' A' ' 144' ' ' ILE . 10.2 p90 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 139' ' ' TYR . 1.1 pt . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 145' ' ' LEU . 3.0 mt -54.24 100.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.775 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 4.6 m-85 -108.04 120.74 43.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.37 99.11 39.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 142.23 27.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.568 1.825 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.624 HD11 ' HG ' ' A' ' 27' ' ' LEU . 1.4 pp -132.99 65.1 73.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.855 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.01 165.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.504 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.828 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -152.27 100.67 2.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -66.59 167.92 10.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.431 ' HD1' ' CE2' ' A' ' 36' ' ' PHE . 84.8 t80 -160.36 124.28 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER -79.45 143.24 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 108.293 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.451 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 3.7 m80 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.685 ' CZ ' ' CZ ' ' A' ' 51' ' ' ARG . 72.7 m-85 -120.45 97.2 5.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.857 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -40.22 144.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.624 ' NH2' HG21 ' A' ' 48' ' ' THR . 9.1 ptp180 -139.29 141.17 37.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.73 HD12 HD13 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -120.28 120.8 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.827 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -93.79 138.01 22.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.01 10.38 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -93.58 -28.26 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.68 21.73 3.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.827 ' HB ' HD12 ' A' ' 40' ' ' LEU . 4.5 m -124.75 142.46 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 1.6 t -124.79 165.51 21.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.591 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 173.07 -171.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.888 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -127.79 166.43 20.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.624 HG21 ' NH2' ' A' ' 38' ' ' ARG . 56.9 m -142.61 123.76 14.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -45.13 -25.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -155.41 128.73 8.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.685 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -49.11 91.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' ASP . 5.2 p -136.38 46.18 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.945 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.527 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -119.86 -171.3 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.04 -39.6 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 99.81 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.527 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -113.73 18.14 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.648 ' O ' HD23 ' A' ' 58' ' ' LEU . 9.7 mp0 -66.73 166.63 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 57' ' ' GLN . 53.7 mt -155.92 -176.14 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 2.4 tt0 -173.13 132.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.31 161.88 13.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.4 t -146.62 53.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -40.15 127.34 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.8 pp20? -121.16 1.1 10.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 160.79 123.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -37.31 148.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.558 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 69.76 9.43 62.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.911 ' HG2' HD22 ' A' ' 98' ' ' LEU . 4.0 tt0 -172.73 106.09 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.837 ' O ' HD23 ' A' ' 98' ' ' LEU . 28.3 m -127.44 166.05 25.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.542 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 10.5 m-85 -110.26 165.05 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.602 HD12 ' HD2' ' A' ' 99' ' ' PHE . 57.0 mt -144.25 127.0 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -126.09 125.78 43.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.642 ' CB ' HG21 ' A' ' 39' ' ' ILE . 2.6 t -67.46 71.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 73' ' ' THR . 14.6 t -53.1 89.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.388 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' SER . 0.6 OUTLIER 171.41 -44.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 41' ' ' PRO . 69.0 p -103.01 -102.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.43 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -177.38 33.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.432 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -125.63 -168.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 36.8 m-85 -137.3 165.92 25.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.73 HD13 HD12 ' A' ' 39' ' ' ILE . 15.0 tp -101.13 134.96 43.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.731 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -153.96 -165.31 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.513 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -153.81 88.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.566 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 61.4 m-20 -48.88 175.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.401 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 9.7 m -62.44 -13.25 27.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -90.15 21.8 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.0 29.8 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' ASP . 3.3 tt -107.41 106.36 16.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.666 HD12 ' H ' ' A' ' 87' ' ' LEU . 6.3 mp -39.55 114.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -142.47 168.87 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.34 154.86 16.33 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.32 158.83 44.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.32 38.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.2 p -143.49 93.45 6.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 105.43 2.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -155.31 -167.77 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -38.58 -44.93 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' CG ' ' HG3' ' A' ' 115' ' ' LYS . 18.5 tt0 -56.26 -73.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.731 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 14.2 t -42.89 -43.34 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.911 HD22 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -51.28 172.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.602 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -152.22 99.01 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -39.64 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.632 ' HB2' HG22 ' A' ' 68' ' ' VAL . 27.2 tt0 -77.66 160.37 28.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.879 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER 178.55 76.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 106' ' ' ASN . 8.5 tp -35.12 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.648 ' OE1' HD11 ' A' ' 145' ' ' LEU . 1.4 tm-20 -45.09 -60.09 2.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -115.12 -100.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.571 ' HA ' HD21 ' A' ' 103' ' ' LEU . 47.5 p-10 -146.42 50.63 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 1.3 m-70 179.97 -52.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.753 ' CE2' HD23 ' A' ' 145' ' ' LEU . 4.5 m-85 -77.82 131.8 37.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.595 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 14.2 m120 -102.36 50.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 104' ' ' GLU . 46.4 p -47.35 97.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 3.1 m-85 -86.28 -171.36 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.879 HD12 ' NH2' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -154.54 121.81 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.458 ' HB3' ' CE ' ' A' ' 81' ' ' MET . 59.5 p -39.74 95.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.51 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 4.6 tttm -55.02 -18.42 5.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.436 ' HG3' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -72.27 -19.04 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.513 ' CE1' ' O ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -163.93 65.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.604 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.525 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -86.5 -22.95 26.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.94 -15.22 20.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -102.56 -1.11 31.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.1 m120 64.02 46.05 3.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 45.3 m0 -91.73 102.37 14.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 107.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.705 ' CD2' HD12 ' A' ' 144' ' ' ILE . 12.2 m-85 -77.37 -176.44 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 111' ' ' TYR . 4.0 p -124.07 91.86 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -160.02 134.74 3.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.888 HD22 ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -80.71 124.97 29.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.75 122.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.03 60.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.6 m-20 -160.68 -41.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 136.55 88.99 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 169.8 158.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 6.2 t -101.89 144.66 30.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.467 ' CD ' ' HB ' ' A' ' 137' ' ' THR . 0.0 OUTLIER -69.57 179.44 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -165.63 58.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 117.28 -137.43 13.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.477 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 18.4 Cg_endo -75.06 60.55 5.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.445 ' CB ' ' HG3' ' A' ' 132' ' ' LYS . 0.8 OUTLIER -130.86 3.69 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.602 ' C ' ' CG ' ' A' ' 138' ' ' HIS . 4.9 t -123.26 119.21 29.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.602 ' CG ' ' C ' ' A' ' 137' ' ' THR . 0.3 OUTLIER -163.99 -179.04 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.504 ' CD1' ' CZ ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.705 HD12 ' CD2' ' A' ' 122' ' ' PHE . 3.6 pt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.753 HD23 ' CE2' ' A' ' 108' ' ' TYR . 5.0 mp -65.83 106.0 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.8 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 6.0 m-85 -117.91 119.43 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.422 ' CD2' ' HD2' ' A' ' 148' ' ' PRO . 0.2 OUTLIER -108.85 105.96 57.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.422 ' HD2' ' CD2' ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.02 127.33 10.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.2 pp -134.53 64.45 64.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.812 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.02 172.58 16.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.812 HG13 ' O ' ' A' ' 150' ' ' PRO . 2.1 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 27' ' ' LEU . 6.9 tttt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -136.68 102.96 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -68.12 167.57 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.769 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 24.6 t80 -162.65 152.15 15.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.603 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 46.8 m -82.66 157.54 23.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.481 ' HB2' ' HB3' ' A' ' 145' ' ' LEU . 28.9 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.595 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.769 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 50.1 m-85 -134.72 101.62 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.925 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -41.55 163.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -154.55 158.77 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -127.88 108.57 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.826 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -88.02 141.35 31.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.659 ' HG3' HE22 ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.98 7.95 2.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.91 -33.38 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.79 32.73 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.826 ' HB ' HD12 ' A' ' 40' ' ' LEU . 3.5 m -127.09 161.18 29.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.424 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -131.3 163.4 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.701 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 177.97 -173.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.948 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -135.32 138.37 9.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.46 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.8 m -107.33 122.02 45.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -46.0 22.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 51' ' ' ARG . 4.7 m-20 -128.01 90.34 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.627 ' CG ' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -25.96 116.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.2 t 179.56 69.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . 6.3 t0 -136.76 -175.22 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.659 HE22 ' HG3' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -55.72 -44.85 77.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.509 ' CD2' ' OE1' ' A' ' 74' ' ' GLU . 25.2 m-70 -166.55 102.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.909 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -110.7 -0.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.448 ' N ' ' OE1' ' A' ' 57' ' ' GLN . 7.1 mp0 -56.64 144.39 32.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.7 mp -141.02 178.67 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' NE2' ' HD3' ' A' ' 26' ' ' LYS . 5.8 tp-100 -168.22 149.66 5.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD21 ' CZ ' ' A' ' 111' ' ' TYR . 1.2 mt -105.53 166.66 10.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 69' ' ' TYR . 5.1 t -147.06 53.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.07 125.85 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.882 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -116.07 -2.17 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.57 130.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -40.1 139.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.62 3.84 83.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.891 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.6 tt0 -164.56 106.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.831 ' O ' HD23 ' A' ' 98' ' ' LEU . 33.2 m -127.43 168.38 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.526 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 11.1 m-85 -119.18 169.59 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.554 ' CG1' HD23 ' A' ' 60' ' ' LEU . 97.0 mt -145.59 128.99 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -136.0 106.86 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' GLU . 7.6 t -66.61 79.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -51.22 90.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.509 ' OE1' ' CD2' ' A' ' 55' ' ' HIS . 3.6 mm-40 -170.72 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.793 HG23 ' OE1' ' A' ' 77' ' ' GLN . 2.1 t -157.79 58.24 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 32.26 91.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.793 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -152.53 121.75 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 55.4 m-85 -106.51 106.64 17.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.478 ' HB2' HG22 ' A' ' 70' ' ' ILE . 8.4 tp -46.63 157.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -170.76 -169.76 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.576 ' HE1' HG21 ' A' ' 137' ' ' THR . 0.0 OUTLIER -155.74 88.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.457 ' O ' ' NE2' ' A' ' 116' ' ' HIS . 12.1 m-20 -46.57 165.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.56 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 2.5 m -56.65 -16.72 6.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 134' ' ' GLY . 3.1 m-20 -80.81 3.58 22.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.72 29.98 58.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.753 HD12 ' HD2' ' A' ' 133' ' ' ARG . 5.4 tt -109.37 108.85 19.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.52 HD21 HG23 ' A' ' 123' ' ' VAL . 2.5 mp -39.79 120.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 90' ' ' SER . 0.3 OUTLIER -151.79 160.53 43.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.98 142.9 17.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -146.66 155.46 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.017 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.03 38.86 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.5 p -134.62 89.34 26.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.65 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.7 m120 -157.68 -154.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.38 59.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' ASN . 6.1 tt0 -167.14 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.466 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -73.25 -23.27 60.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.891 HD22 ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -71.39 175.54 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.606 ' CE2' HG21 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -153.71 121.71 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.514 HD12 ' HG3' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -62.56 99.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 3.4 tt0 -80.14 138.08 36.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -155.04 82.12 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.6 tp -29.93 99.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.607 ' OE2' HD21 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -58.84 -53.81 54.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -110.96 -106.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.539 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 4.3 t30 -147.83 39.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 20.8 m-70 -165.09 -76.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.607 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.6 ' CD1' HD23 ' A' ' 147' ' ' LEU . 26.1 m-85 -45.34 171.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.616 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 71.1 m-20 -128.47 50.72 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.526 ' OG1' ' CB ' ' A' ' 104' ' ' GLU . 14.8 p -48.27 109.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.117 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.651 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -99.52 -170.55 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.643 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -157.95 111.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.607 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 0.9 OUTLIER -32.46 98.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.514 ' HG3' HD12 ' A' ' 100' ' ' LEU . 10.6 tttm -58.45 -18.13 26.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HD3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -68.66 -9.81 52.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.607 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -177.16 69.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.616 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.505 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -93.99 14.79 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.32 -21.36 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -108.65 5.24 24.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 122' ' ' PHE . 1.3 m-20 66.13 23.91 10.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.577 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 35.3 m0 -60.62 83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.967 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.678 ' CZ ' ' CD1' ' A' ' 139' ' ' TYR . 8.9 m-85 -60.05 -172.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.606 HG21 ' CE2' ' A' ' 99' ' ' PHE . 3.3 p -126.65 101.21 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.53 136.22 3.43 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.157 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.948 HD13 ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -78.27 118.91 20.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 128' ' ' ASN . 16.0 tttt -24.39 118.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -62.43 60.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.652 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.4 m-20 -142.66 -45.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.595 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 139.99 57.27 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.59 150.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.444 ' HB2' HD23 ' A' ' 125' ' ' LEU . 13.0 t -92.86 161.57 14.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -123.4 177.89 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.753 ' HD2' HD12 ' A' ' 86' ' ' LEU . 11.6 ptt180 -143.59 128.06 17.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 87.79 -137.06 14.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.473 ' HA ' ' NE1' ' A' ' 121' ' ' TRP . 18.4 Cg_endo -74.98 72.64 4.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.47 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 1.4 mpt_? -155.27 23.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.576 HG21 ' HE1' ' A' ' 81' ' ' MET . 6.1 t -145.24 94.09 2.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 139' ' ' TYR . 21.8 m80 -136.66 -174.03 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.596 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.678 ' CD1' ' CZ ' ' A' ' 122' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.981 HG13 HD12 ' A' ' 145' ' ' LEU . 10.8 pt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.981 HD12 HG13 ' A' ' 144' ' ' ILE . 8.0 mp -76.7 112.16 12.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.706 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 11.5 m-85 -116.58 119.76 36.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.6 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -103.27 107.1 54.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.16 13.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.643 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.8 pp -131.72 66.56 78.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.892 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 167.86 26.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -167.71 115.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -67.48 -173.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.785 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 7.6 t80 179.39 152.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.636 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 67.7 m -77.14 157.49 30.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.04 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.648 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 1.3 m80 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.785 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 24.3 m-85 -116.52 104.72 11.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.754 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -34.95 149.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.462 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -149.08 132.03 16.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -110.49 112.27 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.12 142.62 36.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.98 8.68 2.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.79 -28.96 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.4 18.06 5.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.636 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -122.11 134.18 54.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 110.405 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.63 166.72 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.68 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -177.96 -163.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.454 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -147.62 128.3 2.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.473 ' C ' ' HB3' ' A' ' 35' ' ' HIS . 1.1 m -98.76 124.19 43.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 110.366 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 17.6 ptt-85 -38.23 -53.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 51' ' ' ARG . 23.6 m-20 -131.3 107.15 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.606 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -24.28 111.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.5 t -161.88 60.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.576 ' HB3' HG23 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -135.35 -169.09 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.586 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -84.04 -38.47 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.586 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -155.33 100.98 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.884 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -121.38 5.18 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 72.0 mt-30 -60.43 169.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 14.8 mt -153.27 176.88 11.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.03 117.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.742 HD23 HG23 ' A' ' 70' ' ' ILE . 7.6 mt -80.16 154.24 28.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -144.89 47.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.973 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.738 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -38.2 124.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.65 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -105.59 -9.59 17.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.39 -163.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.425 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -90.68 154.45 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 50.18 27.47 11.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.961 ' HB2' HD22 ' A' ' 98' ' ' LEU . 1.5 pt-20 -178.27 127.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.761 ' O ' HD23 ' A' ' 98' ' ' LEU . 14.6 m -141.06 166.25 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.602 ' CE2' ' SG ' ' A' ' 97' ' ' CYS . 23.9 m-85 -119.97 105.76 11.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.742 HG23 HD23 ' A' ' 60' ' ' LEU . 5.3 mt -90.26 136.1 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.4 136.68 41.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.461 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 29.6 t -89.67 78.66 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 73' ' ' THR . 15.3 t -64.1 84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 179.32 -44.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.439 ' CG2' ' CG2' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -114.6 -29.24 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.426 ' HA2' ' NZ ' ' A' ' 71' ' ' LYS . . . 97.68 80.48 1.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -160.21 151.94 19.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 74.2 m-85 -120.46 111.83 18.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tp -44.6 131.57 6.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.661 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -156.26 168.48 27.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.614 ' SD ' HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -142.18 116.65 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.589 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 56.3 m-20 -74.83 174.11 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 p -57.35 -16.67 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.35 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.53 9.15 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.508 ' O ' ' HE3' ' A' ' 81' ' ' MET . . . 51.23 20.7 5.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -96.56 103.61 15.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.997 HD21 HG23 ' A' ' 123' ' ' VAL . 4.7 mp -38.64 132.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.589 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -162.1 159.2 25.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.053 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -120.26 155.52 16.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.64 159.33 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 91' ' ' GLN . 7.7 tt0 -79.56 3.97 17.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.6 p -114.87 89.89 20.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HA ' ' SG ' ' A' ' 97' ' ' CYS . 18.2 Cg_endo -75.03 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' CYS . 8.3 m120 -147.18 -173.87 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.498 ' HA ' HD12 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -42.78 -27.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 94' ' ' ASN . 50.9 tt0 -73.9 -45.9 47.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.4 p -67.81 -32.94 73.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.961 HD22 ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -51.65 169.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.46 97.56 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.567 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -42.97 105.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -118.22 146.92 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.55 HH21 HD12 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -139.21 -90.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 103' ' ' LEU . 0.1 OUTLIER 178.41 119.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.934 ' CD ' HD21 ' A' ' 145' ' ' LEU . 7.3 tm-20 -92.31 -41.25 10.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.524 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -130.37 -98.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.544 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 15.7 t-20 -161.94 36.12 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 22.8 m-70 -165.16 -69.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.734 ' CD2' HD22 ' A' ' 145' ' ' LEU . 24.4 m-85 -51.35 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.607 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 76.5 m-20 -151.36 76.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.505 ' CG2' HG13 ' A' ' 144' ' ' ILE . 72.8 p -68.06 98.4 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 13.5 m-85 -79.21 -175.8 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.914 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -166.53 128.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.552 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 8.9 t -34.79 109.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.047 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.567 ' HG2' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -75.01 -28.35 60.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.47 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -67.28 -9.73 43.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.552 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -179.96 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.576 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.544 ' HB1' ' CG2' ' A' ' 112' ' ' ILE . . . -83.08 -3.76 57.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.03 -17.96 55.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -102.29 -0.9 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 68.87 15.63 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 39.1 m0 -49.26 110.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.914 ' CE1' HD11 ' A' ' 112' ' ' ILE . 24.1 m-85 -93.3 178.73 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.997 HG23 HD21 ' A' ' 87' ' ' LEU . 7.5 p -113.9 12.24 8.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -84.54 101.54 2.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.68 HD22 ' C ' ' A' ' 46' ' ' ASP . 1.2 mp -58.82 120.14 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.626 ' O ' ' N ' ' A' ' 128' ' ' ASN . 6.0 tttt -24.51 116.87 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.56 60.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.626 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.1 t-20 -140.77 -43.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.648 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 135.63 56.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.48 144.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 13.7 t -69.9 162.14 28.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.34 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.491 ' CD ' ' HB3' ' A' ' 136' ' ' ARG . 1.2 mttp -129.52 145.36 51.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.73 170.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.608 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -44.43 -60.91 3.45 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CD ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -74.98 52.62 3.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 135' ' ' PRO . 1.0 OUTLIER -164.93 28.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 6.8 p -142.15 98.17 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -141.99 175.2 9.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.655 HD12 ' CE2' ' A' ' 122' ' ' PHE . 3.0 pt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.934 HD21 ' CD ' ' A' ' 104' ' ' GLU . 6.8 mt -67.81 113.34 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.754 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 3.2 m-85 -117.77 116.9 27.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 149' ' ' LEU . 1.3 tm? -106.13 104.27 48.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.513 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.03 144.12 29.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -135.13 62.46 51.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.883 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.02 177.16 8.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.533 ' CE ' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.59 ' CD1' HD21 ' A' ' 149' ' ' LEU . 1.3 pp -153.83 123.62 6.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HG ' ' NZ ' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -69.66 153.4 43.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.406 ' HD1' ' CZ ' ' A' ' 36' ' ' PHE . 41.4 t80 -139.68 118.23 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 137.64 58.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 108.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.449 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 29.4 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 19.9 m80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 50' ' ' ASP . 19.8 m-85 -120.11 104.1 9.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.768 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -46.63 164.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -145.64 -177.75 5.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.652 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -156.25 139.16 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -111.85 144.17 30.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.98 3.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -91.55 -49.2 6.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.45 48.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.494 ' CB ' HD23 ' A' ' 40' ' ' LEU . 1.3 m -141.41 168.61 19.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 110.373 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 1.8 t -146.2 168.19 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 176.41 -169.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.688 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -133.62 172.19 21.69 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.452 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 32.0 m -154.69 123.51 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.43 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -38.46 -43.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -142.61 124.48 15.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.47 123.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -179.67 68.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.487 ' OD2' ' NE2' ' A' ' 54' ' ' GLN . 5.4 t0 -144.72 -175.96 4.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.487 ' NE2' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -60.5 -40.11 90.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.423 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 6.1 m-70 -171.03 104.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.495 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -104.45 8.64 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 73' ' ' THR . 32.3 mt-30 -45.16 153.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' A' ' 37' ' ' LEU . 18.1 mt -156.25 172.18 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.46 132.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.836 HD23 HG12 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -98.56 163.84 12.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 2.5 t -145.12 56.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -44.01 128.52 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.746 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -118.39 -2.69 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.519 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 158.65 142.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.17 138.89 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.486 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 67.75 14.74 65.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.61 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.9 tt0 -164.13 103.91 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.768 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.004 ' O ' HD23 ' A' ' 98' ' ' LEU . 32.7 m -133.23 170.78 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.546 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 14.1 m-85 -123.2 168.46 12.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.836 HG12 HD23 ' A' ' 60' ' ' LEU . 96.1 mt -145.52 127.18 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.27 103.85 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.502 ' CB ' HG21 ' A' ' 39' ' ' ILE . 1.5 t -64.36 74.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 73' ' ' THR . 13.8 t -45.8 94.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' SER . 2.0 tm-20 166.88 -36.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.9 p -97.56 -102.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.67 39.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.77 -177.14 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 36.3 m-85 -131.53 129.3 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.493 ' HB2' HG22 ' A' ' 70' ' ' ILE . 6.9 tp -45.65 161.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -178.81 175.47 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.409 ' HE2' ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -139.38 113.22 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.534 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 66.3 m-20 -71.71 178.04 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.46 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 33.5 p -58.42 -15.66 11.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -85.9 -6.83 59.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.506 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 67.79 14.19 64.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -90.08 106.81 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 123' ' ' VAL . 6.6 mp -39.15 123.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.534 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 3.4 p90 -148.24 146.14 28.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.84 153.73 31.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.06 133.01 18.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.68 2.88 18.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 92' ' ' THR . 11.5 p -116.09 92.46 35.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.45 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.6 m120 -157.19 -152.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.75 68.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.466 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 11.0 tt0 179.95 -43.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.591 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -79.77 -25.65 40.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 108.3 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.004 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -60.52 177.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.717 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -154.24 119.04 4.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -66.59 100.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -83.54 165.58 18.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.35 81.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 102' ' ' ARG . 3.6 tp -29.56 94.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 102' ' ' ARG . 3.6 tm-20 -60.32 -49.88 75.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.2 tt0 -110.35 -105.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.579 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 42.3 p-10 -150.35 43.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 1.8 m-70 -177.16 -58.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.917 ' CD2' HD13 ' A' ' 145' ' ' LEU . 9.6 m-85 -64.15 150.37 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 7.8 m-20 -117.86 65.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.536 ' CG2' HG13 ' A' ' 144' ' ' ILE . 69.7 p -53.78 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.584 ' HB2' HG11 ' A' ' 123' ' ' VAL . 5.2 m-85 -80.09 -170.74 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.637 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -161.25 144.91 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.564 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 30.4 t -55.35 88.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.491 ' HA ' HD12 ' A' ' 100' ' ' LEU . 1.6 tttm -56.17 -24.76 43.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.38 -14.85 58.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.565 ' CD2' ' HE3' ' A' ' 115' ' ' LYS . 0.1 OUTLIER 179.97 72.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.602 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.453 ' HB1' HG21 ' A' ' 112' ' ' ILE . . . -82.21 -1.23 48.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.67 -18.1 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.8 OUTLIER -110.33 7.14 22.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' PHE . 1.2 m-20 61.1 23.8 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 31.3 m0 -55.6 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.637 ' CE2' HD11 ' A' ' 112' ' ' ILE . 6.0 m-85 -74.33 -170.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.664 HG23 HD21 ' A' ' 87' ' ' LEU . 4.5 p -131.85 99.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -152.35 159.31 28.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.688 HD13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -115.76 121.12 41.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 128' ' ' ASN . 0.0 OUTLIER -35.6 131.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -68.05 58.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 126' ' ' LYS . 11.1 m120 -150.8 -45.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 138.09 74.65 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.9 140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.975 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 166.86 5.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 108.275 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 136' ' ' ARG . 11.5 tttt -106.99 154.0 21.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 135' ' ' PRO . 0.0 OUTLIER -96.4 152.05 18.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -43.71 -51.38 6.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -75.06 49.13 2.19 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.1 OUTLIER 169.39 38.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -121.89 73.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -138.12 139.05 39.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.175 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.696 ' HB2' HD11 ' A' ' 144' ' ' ILE . 13.9 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.696 HD11 ' HB2' ' A' ' 139' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.917 HD13 ' CD2' ' A' ' 108' ' ' TYR . 4.7 mt -50.63 92.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.494 ' HE2' HG22 ' A' ' 123' ' ' VAL . 1.9 m-85 -95.54 123.92 39.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -107.33 103.02 46.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.56 19.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.7 pp -125.87 79.39 68.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.812 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.97 164.97 32.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.812 HG13 ' O ' ' A' ' 150' ' ' PRO . 1.6 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 4.1 tptt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.778 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -162.28 123.84 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.626 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -88.36 177.24 6.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.672 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 9.6 t80 -175.44 159.66 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.596 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 61.5 m -80.38 120.73 24.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.314 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.608 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 52.3 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.407 ' HB3' ' C ' ' A' ' 48' ' ' THR . 1.7 m80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 32.1 m-85 -123.0 100.16 6.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.894 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -34.6 148.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.55 ' NH2' HG21 ' A' ' 48' ' ' THR . 3.8 ptp180 -149.11 146.72 27.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.489 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -122.82 117.74 52.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.608 HD12 HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -88.07 141.92 31.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 7.83 2.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.2 -28.94 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.35 18.93 5.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.608 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.23 141.99 50.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 110.38 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 79' ' ' LEU . 2.3 t -112.48 169.15 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.794 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 173.61 -171.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.653 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -137.66 145.17 16.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.55 HG21 ' NH2' ' A' ' 38' ' ' ARG . 3.3 m -121.76 126.36 48.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' THR . 12.5 ttm180 -38.6 -34.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -148.9 117.91 6.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.38 120.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.5 p -179.16 68.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 4.4 t0 -140.67 -174.37 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -39.09 76.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.518 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 2.4 m-70 -173.99 106.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.626 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -107.89 14.42 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -49.99 149.9 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -147.52 167.64 23.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -174.14 127.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.68 HD23 ' CG1' ' A' ' 70' ' ' ILE . 1.8 mt -93.93 162.42 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.447 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.1 t -144.44 51.61 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.01 125.95 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.716 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -117.35 -1.66 11.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.63 127.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -38.89 144.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.22 5.46 76.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.729 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.0 tt0 -170.59 105.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.839 ' O ' HD23 ' A' ' 98' ' ' LEU . 34.3 m -125.44 169.47 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 17.1 m-85 -117.39 167.93 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.68 ' CG1' HD23 ' A' ' 60' ' ' LEU . 95.1 mt -146.66 128.71 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -132.45 103.57 6.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.489 ' CB ' HG21 ' A' ' 39' ' ' ILE . 6.0 t -63.01 78.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 73' ' ' THR . 1.6 t -51.46 110.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.518 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 18.5 tp10 165.58 -42.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.5 HG23 ' OE1' ' A' ' 77' ' ' GLN . 1.5 t -152.87 50.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.395 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.29 85.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.5 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -142.77 127.05 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.32 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 41.0 m-85 -110.06 106.8 16.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.486 ' HB2' HG22 ' A' ' 70' ' ' ILE . 5.6 tp -50.67 146.5 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -163.56 -174.54 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.556 ' HE1' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -151.99 116.59 5.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -77.58 178.23 7.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.588 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 21.6 m -57.73 -16.29 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -89.92 10.7 22.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 47.93 23.03 2.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -94.88 104.6 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.986 HD21 HG23 ' A' ' 123' ' ' VAL . 3.1 mp -39.83 124.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.9 p90 -148.19 169.12 20.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -116.25 146.35 18.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 145.45 33.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -78.83 2.8 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 p -116.57 94.24 42.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 100.24 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 96' ' ' GLU . 7.2 m120 -137.11 -174.27 3.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' ASN . 1.2 mp0 -36.51 -33.4 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 94' ' ' ASN . 7.4 tt0 -65.25 -65.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.7 t -47.57 -36.53 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.326 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.839 HD23 ' O ' ' A' ' 68' ' ' VAL . 2.8 mt -52.27 172.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -154.81 112.29 3.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 111.075 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.598 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -49.52 103.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.707 ' HB2' HG13 ' A' ' 68' ' ' VAL . 1.1 tt0 -87.53 141.44 28.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.629 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -162.13 67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -21.01 95.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.582 ' HG2' HD21 ' A' ' 145' ' ' LEU . 0.7 OUTLIER -50.28 -54.86 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.6 tt0 -113.11 -102.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.543 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.6 t30 -143.78 40.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 1.5 m-70 179.85 -47.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.544 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.651 ' CD2' HD22 ' A' ' 145' ' ' LEU . 2.4 m-85 -71.55 113.49 8.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 39.2 m-20 -89.91 49.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.636 ' CG2' HD23 ' A' ' 145' ' ' LEU . 1.1 p -40.67 99.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.671 ' CE2' HG21 ' A' ' 68' ' ' VAL . 5.1 m-85 -88.62 174.15 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.988 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -155.68 132.42 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.611 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 15.7 t -36.19 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.598 ' HG2' HD12 ' A' ' 100' ' ' LEU . 1.9 tmtm? -67.23 -26.08 66.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.484 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -65.63 -11.64 46.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.611 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -179.92 70.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.83 -3.3 53.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -61.2 -19.23 61.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 3.8 mttt -101.91 -1.02 32.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.543 ' O ' ' CD1' ' A' ' 122' ' ' PHE . 0.9 OUTLIER 68.87 15.28 8.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.589 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 45.3 m0 -51.15 109.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 108.046 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.988 ' CE1' HD11 ' A' ' 112' ' ' ILE . 29.5 m-85 -90.17 -176.59 4.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.986 HG23 HD21 ' A' ' 87' ' ' LEU . 7.5 p -117.71 22.98 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.501 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -98.02 111.71 4.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.894 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -63.3 114.69 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 128' ' ' ASN . 3.7 tmtt? -23.01 112.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.524 ' CE ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -60.91 62.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.682 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -137.02 -41.51 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.51 50.31 0.1 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 131' ' ' CYS . 1.6 t 169.52 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 110.02 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 125' ' ' LEU . 2.5 t -48.11 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.5 mptt -141.66 158.89 43.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 135' ' ' PRO . 27.0 ptt180 -85.28 164.22 18.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.576 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.15 -58.03 1.05 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.4 Cg_endo -74.96 58.97 5.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 177.28 37.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.432 ' CG2' ' C ' ' A' ' 136' ' ' ARG . 3.6 p -149.31 101.22 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.569 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -143.92 -178.83 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.45 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.635 HD12 ' CE2' ' A' ' 122' ' ' PHE . 18.1 pt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.651 HD22 ' CD2' ' A' ' 108' ' ' TYR . 11.5 mt -70.44 111.81 6.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.863 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 6.4 m-85 -116.77 135.81 53.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.93 102.64 19.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.6 18.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.613 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.5 pp -132.78 64.57 71.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.641 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.06 -169.37 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HZ1' ' HB2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.2 pp -149.24 109.97 4.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' HZ1' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -63.57 171.31 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 9.0 t80 -165.36 143.23 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.632 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 10.9 m -77.54 149.58 34.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.583 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 2.0 m80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.593 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 82.6 m-85 -109.85 98.52 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.838 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -39.0 132.05 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.506 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 4.5 ptp180 -124.93 173.64 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.644 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.99 143.33 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.644 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -111.65 145.19 32.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.01 2.87 6.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.22 -55.81 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.37 44.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.569 ' CB ' HD23 ' A' ' 40' ' ' LEU . 1.3 m -137.62 168.68 19.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.481 ' N ' ' CG2' ' A' ' 44' ' ' THR . 0.2 OUTLIER -148.04 159.76 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 175.86 -173.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.778 ' HA3' HD22 ' A' ' 125' ' ' LEU . . . -134.71 144.56 16.56 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 4.2 m -116.89 126.64 53.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 110.411 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.579 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -37.52 -36.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.477 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -146.61 120.04 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.593 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.8 114.75 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 52' ' ' SER . 8.8 p -172.52 65.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.506 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.1 t0 -137.07 -175.15 3.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.512 ' CD ' ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -72.11 -17.85 61.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.615 ' CD2' ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER 175.03 110.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 -179.931 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.598 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.94 19.3 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.92 152.93 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.1 mp -147.91 -173.64 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -178.52 136.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.898 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.492 HD23 HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -102.1 161.81 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 t -145.44 53.55 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.053 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.644 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -39.35 126.41 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.99 1.9 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 172.66 172.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -73.23 149.73 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.625 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 49.42 21.19 2.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.673 ' OE2' HD13 ' A' ' 98' ' ' LEU . 3.4 tt0 -163.59 109.18 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.734 ' O ' HD23 ' A' ' 98' ' ' LEU . 20.8 m -133.67 165.6 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 8.4 m-85 -107.14 178.22 4.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.579 HD12 ' CD2' ' A' ' 99' ' ' PHE . 21.3 mt -156.33 127.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -133.5 107.92 8.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' GLN . 2.0 t -57.83 83.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 73' ' ' THR . 13.8 t -59.32 82.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.615 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 9.0 tp10 -164.08 -53.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.597 HG23 ' OE1' ' A' ' 77' ' ' GLN . 1.8 t -148.53 63.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.424 ' HA2' ' HZ2' ' A' ' 71' ' ' LYS . . . 35.56 92.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.597 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -154.14 141.15 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 93' ' ' PRO . 29.0 m-85 -122.62 109.37 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.571 HD22 ' CD2' ' A' ' 58' ' ' LEU . 4.7 tp -51.52 139.72 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -162.63 178.54 8.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.49 ' HE3' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -140.92 116.11 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -72.78 170.76 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.444 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 5.1 m -56.68 -17.14 7.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.19 2.1 29.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.427 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 60.38 19.05 52.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -102.53 109.77 21.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.774 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.803 HD11 HG23 ' A' ' 123' ' ' VAL . 0.2 OUTLIER -39.48 129.18 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.9 p90 -149.65 170.48 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -112.56 159.03 13.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.32 140.28 19.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 110.042 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -74.82 -1.65 23.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.9 p -116.16 90.94 30.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.468 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.0 97.08 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.54 1.811 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.53 -156.7 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -48.53 -34.31 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.497 ' OE2' ' CD ' ' A' ' 115' ' ' LYS . 7.9 tt0 -64.42 -68.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.559 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.1 t -41.8 -45.91 3.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 108.306 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 68' ' ' VAL . 5.1 mt -44.9 167.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -146.01 112.56 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -58.38 99.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.549 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -83.43 174.19 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.865 ' CZ ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER 177.07 82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.546 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.2 OUTLIER -27.99 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.628 ' CD ' HD22 ' A' ' 145' ' ' LEU . 0.9 OUTLIER -68.4 -37.04 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.2 tt0 -124.46 -107.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.584 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 8.5 t30 -152.29 37.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 9.8 m-70 -169.44 -71.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.639 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.646 ' CG ' ' HB3' ' A' ' 145' ' ' LEU . 25.9 m-85 -49.24 -178.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.632 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 88.1 m-20 -148.54 78.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.61 ' CG2' HG13 ' A' ' 144' ' ' ILE . 73.2 p -68.86 96.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.674 ' HE2' HG21 ' A' ' 68' ' ' VAL . 10.5 m-85 -79.79 178.3 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.865 HD12 ' CZ ' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -155.71 129.67 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.482 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 7.6 t -35.86 102.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.594 ' HA ' HD12 ' A' ' 100' ' ' LEU . 12.6 tttm -68.96 -39.26 79.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.497 ' CD ' ' OE2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -53.55 -20.77 5.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.482 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -172.91 73.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.55 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.66 ' HB1' ' CG2' ' A' ' 112' ' ' ILE . . . -86.04 -4.91 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.41 -14.09 25.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -107.72 1.09 22.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 122' ' ' PHE . 1.0 OUTLIER 65.38 23.39 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.566 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 38.7 m0 -59.35 89.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.01 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.923 ' CE2' HD12 ' A' ' 144' ' ' ILE . 11.0 m-85 -66.89 -173.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.803 HG23 HD11 ' A' ' 87' ' ' LEU . 7.7 p -123.37 21.89 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' A' ' 125' ' ' LEU . . . -82.0 -176.2 51.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.778 HD22 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -147.31 116.64 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.737 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 128' ' ' ASN . 35.2 tttt -37.37 128.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.534 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.88 58.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 126' ' ' LYS . 15.2 m120 -132.29 -43.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.583 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 131.49 60.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 131' ' ' CYS . 2.1 m 169.72 134.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.746 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 130' ' ' SER . 2.0 t -47.78 172.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 108.297 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.673 ' HB3' HG22 ' A' ' 137' ' ' THR . 7.8 tttt -116.17 145.35 43.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.602 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -78.66 151.51 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.937 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.512 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -34.97 -67.24 0.29 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.95 54.39 3.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 4.2 mtt180 -175.88 33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.673 HG22 ' HB3' ' A' ' 132' ' ' LYS . 2.2 p -136.31 103.78 5.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.429 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -157.12 136.9 12.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.632 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.784 ' HB2' HD11 ' A' ' 144' ' ' ILE . 6.3 p90 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.923 HD12 ' CE2' ' A' ' 122' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.646 ' HB3' ' CG ' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -55.77 99.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.838 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 2.8 m-85 -89.29 120.4 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.562 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -104.14 104.24 42.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -74.97 135.84 19.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 149' ' ' LEU . 2.7 pp -132.12 74.3 76.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.889 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.98 164.92 32.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 2.5 pp -176.17 146.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -85.48 170.24 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -154.7 127.27 7.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -75.88 120.73 21.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.478 ' OG ' ' CZ ' ' A' ' 108' ' ' TYR . 3.7 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.7 m80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 87.1 m-85 -116.79 103.65 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.93 ' HB3' HD13 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -37.77 132.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 1.4 ptp180 -135.96 160.37 38.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.848 ' CG1' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -156.88 152.12 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.709 HD23 ' CG2' ' A' ' 44' ' ' THR . 0.4 OUTLIER -113.74 139.73 23.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.494 ' CD ' ' OE1' ' A' ' 54' ' ' GLN . 18.3 Cg_endo -75.01 4.94 4.3 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.0 -43.0 11.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.83 44.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.709 ' CG2' HD23 ' A' ' 40' ' ' LEU . 2.0 m -142.73 162.21 36.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.848 HG13 ' CG1' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -151.01 161.19 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.94 -171.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.932 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -125.9 166.32 18.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 26.7 m -143.94 124.42 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.99 -25.06 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.541 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -152.15 128.81 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.561 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -52.96 115.54 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -178.02 68.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.505 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 1.5 t0 -141.41 -175.32 4.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.591 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -57.18 -36.19 70.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.612 ' CD2' ' HG3' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -179.49 108.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.574 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.462 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -111.28 26.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -78.15 124.96 28.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.93 HD13 ' HB3' ' A' ' 37' ' ' LEU . 1.3 mp -138.7 115.07 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 70' ' ' ILE . 10.8 tp-100 -105.74 158.19 16.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.694 HD22 ' OH ' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -107.49 163.45 13.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.0 t -149.96 52.61 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.592 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -44.51 128.98 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -121.98 0.82 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.519 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 161.78 151.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.9 m -57.97 137.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 72.02 6.1 63.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.545 1.153 . . . . 0.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.685 ' HG2' HD13 ' A' ' 98' ' ' LEU . 3.0 tt0 -156.75 101.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.829 ' O ' HD23 ' A' ' 98' ' ' LEU . 21.7 m -131.55 166.55 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.573 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 24.3 m-85 -117.69 167.84 10.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.847 HD12 ' CD2' ' A' ' 99' ' ' PHE . 94.2 mt -144.13 122.46 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.19 130.38 55.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.504 ' O ' ' C ' ' A' ' 73' ' ' THR . 23.3 t -76.09 69.63 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.504 ' C ' ' O ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -29.14 95.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.405 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.612 ' HG3' ' CD2' ' A' ' 55' ' ' HIS . 2.0 tm-20 176.18 -70.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -127.34 59.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 30.54 62.84 0.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.451 ' OE1' ' HA ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -99.71 -165.47 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.416 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 32.7 m-85 -161.06 122.48 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.519 ' HB2' HG22 ' A' ' 70' ' ' ILE . 7.2 tp -76.69 138.45 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.666 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -152.79 174.9 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ttm -137.49 119.53 15.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.2 175.43 6.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.597 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 37.6 m -56.41 -17.88 9.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -90.02 13.04 15.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.501 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 50.9 20.69 4.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -94.05 103.48 15.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.946 HD21 ' CG2' ' A' ' 123' ' ' VAL . 8.0 mp -38.18 126.86 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -148.53 158.66 44.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.25 145.19 17.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.78 135.09 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.0 41.5 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.8 p -143.57 90.54 7.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 95.42 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.8 m120 -160.46 -152.99 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -65.58 72.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 94' ' ' ASN . 9.6 tt0 179.88 -58.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.666 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.3 t -63.66 -35.96 82.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.27 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 68' ' ' VAL . 2.8 mt -45.83 170.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.847 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -149.14 99.62 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.67 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -48.2 100.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 102' ' ' ARG . 4.2 tm-20 -118.95 159.17 24.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.42 ' O ' ' OE2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -151.7 -93.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 102' ' ' ARG . 4.2 tp -176.45 119.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.508 ' HB2' HG21 ' A' ' 110' ' ' THR . 13.2 tm-20 -95.68 -35.57 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.418 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 2.0 tt0 -130.17 -114.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 1.4 t-20 -137.8 30.13 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.519 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -170.12 -66.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.596 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.932 ' CE2' HD13 ' A' ' 145' ' ' LEU . 7.1 m-85 -38.82 159.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 11.4 m120 -132.37 68.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 104' ' ' GLU . 70.0 p -60.27 99.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.694 ' OH ' HD22 ' A' ' 60' ' ' LEU . 15.6 m-85 -79.53 -178.15 6.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.939 HD11 ' CZ ' ' A' ' 122' ' ' PHE . 19.2 mt -156.97 134.69 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.611 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 8.3 t -48.36 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -55.36 -40.19 70.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -20.91 5.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.611 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -168.02 71.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.583 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.67 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -87.35 -8.29 56.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -58.79 -15.58 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.9 OUTLIER -108.01 3.33 23.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.4 OUTLIER 61.39 30.81 19.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.1 m0 -64.44 86.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 108.034 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.939 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 15.3 m-85 -71.13 -175.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.946 ' CG2' HD21 ' A' ' 87' ' ' LEU . 14.3 p -125.04 108.56 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -157.52 164.17 32.9 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.932 HD13 ' HA3' ' A' ' 47' ' ' GLY . 1.5 mt -119.21 118.58 31.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ASN . 8.4 tttt -33.81 131.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.532 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -68.08 59.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -154.85 -44.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.942 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 136.67 78.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.53 151.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.435 ' HA ' HD23 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -69.48 163.38 25.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.34 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.19 157.38 16.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 149.24 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.621 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -43.33 -53.01 5.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.4 Cg_endo -75.03 49.01 2.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.99 39.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -122.52 61.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -126.92 135.8 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.637 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.744 ' HB2' HD11 ' A' ' 144' ' ' ILE . 11.9 p90 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.744 HD11 ' HB2' ' A' ' 139' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.932 HD13 ' CE2' ' A' ' 108' ' ' TYR . 7.1 mt -51.9 103.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -108.67 118.49 36.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 147' ' ' LEU . 0.6 OUTLIER -110.63 103.64 54.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.524 ' HG3' HD11 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.01 138.91 23.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 149' ' ' LEU . 3.2 pp -124.77 73.45 63.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.891 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.99 163.94 34.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.891 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.65 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -137.69 116.67 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -91.13 154.36 19.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.507 ' H ' HD23 ' A' ' 28' ' ' LEU . 71.9 t80 -144.64 132.98 21.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.57 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -96.08 105.04 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 30' ' ' CYS . 53.6 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 48' ' ' THR . 77.1 m80 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.486 ' O ' ' C ' ' A' ' 37' ' ' LEU . 94.7 m-85 -121.12 97.8 5.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.838 ' HG ' HD11 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -33.72 147.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.527 ' CB ' HG22 ' A' ' 56' ' ' ILE . 7.6 ptp180 -143.68 131.68 21.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.905 HD11 HD13 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -110.18 111.35 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.576 HD12 HG22 ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.86 141.8 33.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 8.98 2.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.447 1.761 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -29.29 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.02 17.05 5.54 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.576 HG22 HD12 ' A' ' 40' ' ' LEU . 1.1 m -119.7 137.7 53.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 110.373 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.453 HG12 ' H ' ' A' ' 46' ' ' ASP . 2.3 t -116.22 169.53 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.607 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 171.43 -171.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.87 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -127.52 154.85 19.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' PHE . 65.4 m -129.37 123.37 31.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -38.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.483 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 2.9 m-20 -144.28 125.45 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.8 103.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 p -155.21 56.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -129.08 -168.53 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.566 ' NE2' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -78.58 -41.25 32.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -159.21 101.55 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.614 179.941 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.827 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.2 pp -119.07 9.69 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 55' ' ' HIS . 11.4 mp0 -58.35 152.76 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.9 mp -145.21 178.17 8.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' OE1' ' CD ' ' A' ' 26' ' ' LYS . 3.7 tp-100 -177.88 153.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.719 HD13 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -113.37 164.25 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.7 t -145.97 56.3 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.65 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -39.77 127.91 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.778 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -118.93 -1.93 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.247 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.13 137.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.14 137.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 72.28 10.85 75.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.76 ' HG2' HD22 ' A' ' 98' ' ' LEU . 2.4 tt0 -163.5 104.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 110.26 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.951 ' O ' HD23 ' A' ' 98' ' ' LEU . 27.7 m -130.3 167.33 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.542 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 8.9 m-85 -116.52 169.63 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.011 HD12 ' CD2' ' A' ' 99' ' ' PHE . 86.2 mt -146.91 125.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -132.11 113.63 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.792 ' HB2' HD13 ' A' ' 39' ' ' ILE . 1.3 t -68.17 71.15 0.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 73' ' ' THR . 14.9 t -50.99 89.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 73' ' ' THR . 2.4 mm-40 159.45 -25.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.2 m -108.5 -29.51 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.81 15.61 57.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.458 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -112.82 -172.85 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 20.9 m-85 -132.46 149.11 52.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.905 HD13 HD11 ' A' ' 39' ' ' ILE . 10.1 tp -86.64 114.65 23.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -137.14 169.4 17.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.01 98.92 4.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.563 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 44.0 m-20 -54.78 170.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.643 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 1.1 p -60.41 -14.21 17.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -72.8 -15.87 61.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.469 ' CA ' ' CZ3' ' A' ' 121' ' ' TRP . . . 79.5 15.17 80.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -113.23 114.22 26.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.869 HD21 HG23 ' A' ' 123' ' ' VAL . 6.7 mp -40.22 134.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.1 p90 -151.02 170.74 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -88.5 147.77 20.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -146.12 113.37 6.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.985 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -0.38 20.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' A' ' 92' ' ' THR . 11.1 p -116.43 94.6 43.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 100.79 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.5 m120 -158.27 -149.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -65.93 68.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' ASN . 8.4 tt0 179.86 -48.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.5 t -70.75 -37.33 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.951 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -47.63 173.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 1.011 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -148.76 101.2 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.514 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -55.38 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 111' ' ' TYR . 12.9 tm-20 -118.8 167.2 11.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -153.8 -89.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.284 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.838 HD11 ' HA ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER 179.24 125.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.729 ' OE2' HD13 ' A' ' 145' ' ' LEU . 22.5 tt0 -96.17 -33.41 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.602 ' O ' HD21 ' A' ' 103' ' ' LEU . 3.3 mm-40 -130.11 -97.83 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.838 ' HA ' HD11 ' A' ' 103' ' ' LEU . 5.1 t30 -166.99 52.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 4.6 m170 -179.95 -62.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.604 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.592 ' CD2' ' CD1' ' A' ' 145' ' ' LEU . 9.7 m-85 -60.77 -172.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.501 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 6.0 m120 -153.59 84.33 1.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.658 HG21 ' HB2' ' A' ' 104' ' ' GLU . 17.9 p -72.16 102.13 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.719 ' OH ' HD13 ' A' ' 60' ' ' LEU . 13.8 m-85 -78.98 -178.19 5.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.493 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -159.28 114.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 112' ' ' ILE . 23.8 p -33.01 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.581 ' HE3' HD13 ' A' ' 98' ' ' LEU . 4.2 tttm -55.76 -25.26 39.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.643 ' NZ ' HG23 ' A' ' 83' ' ' THR . 0.3 OUTLIER -82.48 -4.81 58.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.743 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -148.29 31.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.602 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.514 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -66.69 -10.85 50.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.96 -22.16 53.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -108.32 3.63 23.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.9 OUTLIER 56.95 29.43 16.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.886 ' HA ' HG23 ' A' ' 137' ' ' THR . 27.9 m0 -64.16 81.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' A' ' 144' ' ' ILE . 13.0 m-85 -58.37 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.869 HG23 HD21 ' A' ' 87' ' ' LEU . 13.1 p -121.11 109.48 25.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -163.13 150.63 19.67 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.87 HD13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -105.34 125.46 51.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 128' ' ' ASN . 10.7 tttt -35.05 130.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 59.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 126' ' ' LYS . 10.3 m120 -156.55 -43.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 139.81 69.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.5 t 174.71 144.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.972 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.6 178.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.348 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -85.06 -155.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.675 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -156.65 100.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.894 ' O ' HG22 ' A' ' 137' ' ' THR . . . 2.44 -80.56 0.0 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ARG . 18.4 Cg_endo -74.95 58.5 4.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER 169.33 40.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.894 HG22 ' O ' ' A' ' 134' ' ' GLY . 0.5 OUTLIER -135.49 59.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -118.61 134.48 55.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.863 ' HB2' HD11 ' A' ' 144' ' ' ILE . 8.1 p90 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.863 HD11 ' HB2' ' A' ' 139' ' ' TYR . 1.6 pt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.729 HD13 ' OE2' ' A' ' 104' ' ' GLU . 4.1 tp -58.11 82.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.738 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.8 m-85 -89.07 121.31 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 149' ' ' LEU . 0.8 OUTLIER -113.65 106.88 53.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.401 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -74.99 119.83 5.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.456 1.766 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -125.52 73.74 68.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.819 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 168.63 24.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.819 HG13 ' O ' ' A' ' 150' ' ' PRO . 2.3 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -146.34 118.74 8.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -80.89 164.59 22.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 21.8 t80 -138.82 138.64 37.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.01 136.47 33.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 108.298 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.984 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 27.5 m80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 51.6 m-85 -140.78 105.17 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.76 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -34.89 142.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.744 ' HB2' HG22 ' A' ' 56' ' ' ILE . 3.9 ptp180 -144.9 159.46 42.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.838 HD12 HG13 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -147.61 151.82 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.618 HD23 ' CG2' ' A' ' 44' ' ' THR . 0.5 OUTLIER -109.38 143.14 27.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 3.98 5.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.08 -48.69 7.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.17 45.16 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.618 ' CG2' HD23 ' A' ' 40' ' ' LEU . 1.5 m -143.16 166.07 25.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.838 HG13 HD12 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -143.51 163.93 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 172.27 -171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.47 177.07 17.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.552 1.157 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.505 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 29.9 m -154.24 123.13 6.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -34.94 -40.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -143.41 124.66 14.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HD2' HD13 ' A' ' 27' ' ' LEU . 2.8 ptt180 -47.18 119.49 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 179.98 69.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.497 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -141.14 -175.62 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -51.86 -47.14 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 3.1 m-70 -169.42 103.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.3 pp -106.83 13.59 8.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -64.95 149.11 50.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -143.31 -172.97 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.537 ' CB ' HG23 ' A' ' 73' ' ' THR . 4.8 tp60 -177.27 134.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.527 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -97.53 161.12 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 t -144.39 51.54 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.422 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.07 126.0 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.76 -2.44 12.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER 159.35 132.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -41.14 137.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.61 -7.21 58.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.847 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.3 tt0 -151.21 104.76 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.965 ' O ' HD23 ' A' ' 98' ' ' LEU . 32.8 m -128.83 166.28 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.56 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 21.1 m-85 -120.23 167.35 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.768 HD12 ' HD2' ' A' ' 99' ' ' PHE . 96.8 mt -143.27 125.62 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.584 ' HZ2' ' HA2' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -124.45 105.85 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.506 ' CB ' ' HG1' ' A' ' 75' ' ' THR . 8.8 t -55.91 86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.537 HG23 ' CB ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -56.2 83.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 0.0 110.399 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.4 mm-40 159.84 -48.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.775 HG21 HG23 ' A' ' 39' ' ' ILE . 40.4 p -80.92 -11.77 59.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.584 ' HA2' ' HZ2' ' A' ' 71' ' ' LYS . . . 68.18 4.74 37.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -102.0 -164.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 58.5 m-85 -131.54 159.5 38.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.793 HD13 ' H ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -89.7 154.56 19.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.793 ' H ' HD13 ' A' ' 79' ' ' LEU . . . -173.54 174.28 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.584 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -136.26 96.54 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.575 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 58.4 m-20 -49.32 169.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.491 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 1.4 p -60.27 -14.03 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 21.07 3.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 44.9 25.02 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tt -104.34 108.06 19.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.652 HD21 HG23 ' A' ' 123' ' ' VAL . 8.1 mp -39.87 122.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.543 ' CG ' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -150.52 162.03 41.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 110.999 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -114.14 158.7 14.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.15 161.05 39.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -88.21 39.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.2 p -145.35 91.96 5.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 97' ' ' CYS . 18.3 Cg_endo -74.96 85.95 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' GLU . 6.0 m120 -129.3 -175.05 3.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER -38.68 -34.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.239 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -64.83 -65.56 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.679 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -50.16 -28.86 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.965 HD23 ' O ' ' A' ' 68' ' ' VAL . 1.2 mt -64.73 168.25 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.768 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -145.26 100.63 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.482 HD12 ' HG3' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -43.13 101.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.936 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.477 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER -110.1 145.76 36.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.808 HH21 HD12 ' A' ' 112' ' ' ILE . 3.0 ptt180 -142.12 -94.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.76 121.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.986 ' OE2' HD21 ' A' ' 145' ' ' LEU . 3.9 tm-20 -95.93 -45.54 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 3.2 mm-40 -129.96 -103.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.557 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 2.2 t30 -161.78 42.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.557 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -162.94 -51.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.619 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 1.073 ' CE2' HD23 ' A' ' 145' ' ' LEU . 4.5 m-85 -81.57 -171.65 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.606 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 5.1 m120 -152.14 65.8 0.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 104' ' ' GLU . 41.2 p -48.53 121.22 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.606 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 3.0 m-85 -106.12 171.59 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.005 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.9 OUTLIER -150.63 120.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 17.1 t -37.6 102.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HG3' HD12 ' A' ' 100' ' ' LEU . 20.0 tttm -59.72 -27.39 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.97 -26.06 68.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.608 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -155.59 64.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.627 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -89.28 -9.8 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.65 -7.58 45.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -111.77 -1.9 15.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 63.23 42.21 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 44.1 m0 -84.0 77.53 9.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.046 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 1.005 ' CE1' HD11 ' A' ' 112' ' ' ILE . 15.6 m-85 -54.52 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.652 HG23 HD21 ' A' ' 87' ' ' LEU . 12.6 p -117.09 22.0 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.478 ' HA3' ' CG2' ' A' ' 144' ' ' ILE . . . -88.26 104.39 3.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.76 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -59.96 125.02 22.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -30.79 123.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.448 ' HD3' ' C ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.1 58.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.1 t-20 -141.41 -43.65 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.56 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 127.11 67.43 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.89 132.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.621 ' SG ' HD23 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -64.89 159.53 22.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.287 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -116.22 -179.41 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.36 140.45 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.4 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 62.2 -140.48 46.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.448 ' O ' ' NE ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.01 77.09 3.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.448 ' NE ' ' O ' ' A' ' 135' ' ' PRO . 0.4 OUTLIER -160.07 26.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.7 OUTLIER -152.36 92.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.455 ' CE1' ' H ' ' A' ' 137' ' ' THR . 0.6 OUTLIER -140.91 -170.41 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.564 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.426 ' CD1' ' CD1' ' A' ' 144' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.65 HG13 HD12 ' A' ' 145' ' ' LEU . 5.2 pt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 1.073 HD23 ' CE2' ' A' ' 108' ' ' TYR . 10.7 mp -68.77 85.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.441 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 4.8 m-85 -91.32 119.31 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 147' ' ' LEU . 0.7 OUTLIER -101.37 108.11 53.74 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -74.98 128.48 11.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.629 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.8 pp -132.92 66.06 75.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.887 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.96 167.27 27.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.686 HD13 ' CD1' ' A' ' 36' ' ' PHE . 1.7 pp -174.04 126.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.234 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -84.17 156.13 22.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 30' ' ' CYS . 45.2 t80 -155.65 136.94 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.629 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -76.24 165.63 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 108.289 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CD1' HD13 ' A' ' 27' ' ' LEU . 92.8 m-85 -141.06 84.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.752 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -35.77 153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.35 158.33 43.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.599 HD12 ' CG ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -125.08 107.03 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -87.42 141.96 32.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 8.83 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.36 -31.65 13.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.14 21.46 4.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.685 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -121.04 131.35 54.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 0.741 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.535 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -110.72 166.29 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.59 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 175.73 -172.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.45 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -132.78 138.18 9.95 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.475 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 78.7 m -115.91 123.48 48.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -40.49 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -128.22 113.34 15.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.589 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -51.19 121.48 6.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.43 ' O ' ' OG ' ' A' ' 52' ' ' SER . 0.7 OUTLIER 179.45 70.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.55 ' CG ' ' NE2' ' A' ' 54' ' ' GLN . 22.8 t0 -140.75 -176.78 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.556 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -52.73 -40.08 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 54' ' ' GLN . 18.5 m-70 -173.45 106.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.63 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -110.61 16.54 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.405 ' OE1' HG23 ' A' ' 73' ' ' THR . 0.3 OUTLIER -67.35 128.5 36.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -121.26 172.42 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 2.0 tp-100 -169.91 139.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD13 ' OH ' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -101.21 161.22 13.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.5 t -145.74 52.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -42.49 126.77 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.792 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -115.98 -2.85 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.0 130.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -39.12 142.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.24 4.22 67.87 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.692 ' HG2' HD13 ' A' ' 98' ' ' LEU . 1.5 tt0 -165.23 103.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.319 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.885 HG21 ' CE2' ' A' ' 111' ' ' TYR . 35.8 m -128.41 168.02 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 16.5 m-85 -117.45 166.1 12.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.531 HD12 ' CD2' ' A' ' 99' ' ' PHE . 70.2 mt -145.6 130.0 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.8 128.0 29.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.521 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 16.2 t -82.09 70.09 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 73' ' ' THR . 11.8 t -38.53 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.527 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 175.54 -51.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 75' ' ' THR . 15.1 t -138.01 46.08 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 37.01 48.61 1.42 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.599 ' CG ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -109.56 114.1 27.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 51.4 m-85 -91.73 154.93 18.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 79' ' ' LEU . 8.7 tp -97.74 144.99 26.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.729 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -166.24 -178.62 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.648 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -143.04 115.15 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.574 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 34.5 m-20 -73.16 170.96 13.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 m -55.62 -18.08 6.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.88 7.66 20.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 55.32 17.85 12.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -96.39 105.54 17.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.648 HD12 ' HG3' ' A' ' 81' ' ' MET . 3.4 mp -38.62 134.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.574 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.6 p90 -161.73 164.4 29.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -116.58 164.0 12.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.99 153.41 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 91' ' ' GLN . 10.7 tt0 -78.7 2.89 18.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.2 p -116.1 90.6 29.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 109.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 96' ' ' GLU . 8.3 m120 -148.55 -172.85 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 98' ' ' LEU . 1.9 mp0 -37.77 -31.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 94' ' ' ASN . 4.6 tt0 -66.86 -59.07 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.729 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 17.3 t -60.2 -26.0 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.294 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.0 mt -59.95 174.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -153.61 114.3 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.596 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -57.19 101.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 6.9 tt0 -78.81 162.7 25.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.73 86.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.558 HD21 ' N ' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -35.76 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.8 tm-20 -52.67 -43.27 65.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -126.56 -104.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.569 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 7.0 t30 -137.55 24.09 2.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 69.7 m-70 -165.81 -66.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.988 ' CD2' HD23 ' A' ' 145' ' ' LEU . 23.3 m-85 -49.91 131.07 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.625 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 10.0 m120 -109.1 80.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.555 ' CG2' HG13 ' A' ' 144' ' ' ILE . 57.9 p -72.87 96.87 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.885 ' CE2' HG21 ' A' ' 68' ' ' VAL . 18.0 m-85 -79.62 179.63 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.931 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -157.3 136.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.648 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 5.8 t -38.34 106.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.596 ' HG2' HD12 ' A' ' 100' ' ' LEU . 3.4 tmtm? -74.1 -16.31 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.485 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -80.24 -8.99 59.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.648 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.87 63.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 112' ' ' ILE . . . -76.31 -10.36 59.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -59.34 -15.43 16.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.549 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -101.57 -3.2 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 69.07 19.61 7.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 45.9 m0 -59.23 108.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.931 ' CE1' HD11 ' A' ' 112' ' ' ILE . 16.4 m-85 -88.9 178.85 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.585 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 7.5 p -112.34 9.64 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.54 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -85.79 102.97 2.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.752 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.8 121.48 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 128' ' ' ASN . 20.0 tttt -23.76 117.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.62 60.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.622 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.8 t-20 -140.13 -44.66 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.516 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 131.54 59.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.54 125.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 1.7 t -45.04 162.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -134.78 133.95 40.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -58.8 163.83 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -40.49 -56.84 2.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.3 Cg_endo -74.99 54.97 3.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.465 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -174.35 33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 7.6 p -145.51 96.55 2.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.427 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.1 OUTLIER -143.6 171.2 14.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.45 ' CD1' HD11 ' A' ' 144' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.606 HD12 ' CE2' ' A' ' 122' ' ' PHE . 2.4 pt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.988 HD23 ' CD2' ' A' ' 108' ' ' TYR . 8.3 mp -72.92 93.39 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.617 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 9.8 m-85 -100.37 121.46 41.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -106.98 103.89 49.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.4 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.2 Cg_endo -74.99 135.56 19.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.803 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.83 ' O ' HD12 ' A' ' 149' ' ' LEU . 3.1 pp -131.31 66.66 79.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.881 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.96 167.24 27.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 151' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 2.4 mttt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.02 0.11 9.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE3' ' CA ' ' A' ' 27' ' ' LEU . 1.9 tptt -172.82 138.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.798 HD11 HD11 ' A' ' 149' ' ' LEU . 1.0 OUTLIER -168.48 150.03 4.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.898 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -109.51 157.71 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.533 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 67.4 t80 -143.32 145.41 32.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -93.64 143.73 26.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 108.306 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 2.7 t -54.64 -94.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 33' ' ' GLY . 2.6 t30 -63.76 -55.04 26.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -34.19 -40.55 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.533 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 62.46 11.54 35.07 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 2.8 m80 -92.38 173.51 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 109.603 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 74.4 m-85 -133.1 99.06 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.795 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -37.61 150.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.519 ' NH2' HG21 ' A' ' 48' ' ' THR . 6.1 ptp180 -146.82 144.32 29.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.82 HD12 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -118.1 116.23 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.701 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -87.12 142.13 33.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.04 8.39 2.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.84 -28.09 16.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.22 24.94 3.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.701 ' HB ' HD12 ' A' ' 40' ' ' LEU . 2.3 m -125.68 145.34 50.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.82 HG13 HD12 ' A' ' 39' ' ' ILE . 2.1 t -118.07 169.64 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.446 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER 172.41 -171.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.622 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -135.89 142.69 14.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.519 HG21 ' NH2' ' A' ' 38' ' ' ARG . 21.9 m -117.12 124.72 49.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.499 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -43.12 -26.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.237 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -152.47 118.01 5.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.62 120.59 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 179.9 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 3.0 t0 -142.52 -176.65 4.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.437 ' NE2' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -54.62 -45.01 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 7.8 m-70 -168.9 103.17 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.567 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -106.61 16.74 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 151.47 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 37' ' ' LEU . 9.7 mt -141.15 170.57 15.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 33.6 tp60 -176.93 142.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.969 HD23 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -109.91 160.65 16.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' TYR . 3.3 t -144.87 55.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.623 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -41.41 131.86 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.793 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -124.16 -0.88 8.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.538 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 159.6 136.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.43 141.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 67.71 11.04 59.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.722 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.7 tt0 -163.51 101.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.851 ' O ' HD23 ' A' ' 98' ' ' LEU . 25.2 m -131.11 167.48 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.548 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 22.6 m-85 -115.87 165.34 13.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 59' ' ' GLN . 6.0 mt -147.71 127.68 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.661 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -134.52 114.51 12.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.661 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 6.3 t -66.78 71.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 73' ' ' THR . 2.1 t -38.13 109.96 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.427 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.594 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.4 mm-40 168.56 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.08 -24.18 9.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.43 47.37 1.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 1.1 mt-30 -109.61 115.37 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 43.7 m-85 -85.79 118.29 25.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.038 HD11 HD23 ' A' ' 87' ' ' LEU . 8.9 tp -59.84 106.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -130.42 176.76 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.594 ' CE ' HD12 ' A' ' 87' ' ' LEU . 1.2 ttt -139.02 105.77 5.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.623 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 22.7 m-20 -64.52 166.69 8.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 78.1 m -51.77 -20.41 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.07 -11.88 61.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.461 ' O ' ' CE ' ' A' ' 81' ' ' MET . . . 72.3 21.42 79.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.788 HD12 ' HD3' ' A' ' 133' ' ' ARG . 4.8 tt -111.18 122.67 48.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.038 HD23 HD11 ' A' ' 79' ' ' LEU . 1.5 mp -46.88 126.55 8.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.3 p90 -148.39 169.21 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -91.36 149.76 20.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.53 112.64 6.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 0.726 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -3.72 26.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.5 p -115.15 99.51 52.42 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 102.04 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.7 m120 -157.07 -153.18 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.68 69.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' ASN . 3.8 tt0 -179.11 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.525 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -72.79 -33.3 66.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 68' ' ' VAL . 2.3 mt -52.31 170.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -150.54 98.0 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.47 HD23 ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -41.85 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 68' ' ' VAL . 17.9 tt0 -112.35 143.41 43.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.752 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -142.8 -95.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -175.87 119.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.536 ' HG3' HD21 ' A' ' 145' ' ' LEU . 5.0 tp10 -97.02 -46.48 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -120.66 -103.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.574 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.8 t30 -167.36 47.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 4.1 m-70 -172.04 -64.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.591 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.597 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 8.6 m-85 -59.72 -156.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.573 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 7.6 m120 -163.69 77.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 104' ' ' GLU . 71.2 p -68.36 110.37 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.969 ' OH ' HD23 ' A' ' 60' ' ' LEU . 12.2 m-85 -86.48 -168.5 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.752 HD12 ' NH2' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -160.68 114.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.469 ' OG ' ' ND1' ' A' ' 116' ' ' HIS . 31.7 t -37.62 95.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 112' ' ' ILE . 1.2 tttm -59.72 -15.53 20.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.472 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -78.52 -19.73 52.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.623 ' CE1' ' O ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -153.87 55.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.2 -21.18 60.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -63.07 -17.86 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -110.74 0.03 17.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 53.73 50.9 16.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.788 ' HA ' HG23 ' A' ' 137' ' ' THR . 39.9 m0 -85.44 81.11 8.86 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CD2' HD12 ' A' ' 144' ' ' ILE . 16.5 m-85 -55.96 179.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.721 HG23 HD11 ' A' ' 87' ' ' LEU . 7.1 p -113.88 96.47 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 131' ' ' CYS . . . -148.25 -176.57 21.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.674 HD11 ' HG ' ' A' ' 37' ' ' LEU . 1.1 mp -142.81 126.81 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 128' ' ' ASN . 6.6 tttt -36.46 128.34 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.476 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.85 59.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 126' ' ' LYS . 2.8 m120 -150.05 -44.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 135.63 64.31 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 m 169.92 114.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.454 ' HB2' HD23 ' A' ' 125' ' ' LEU . 1.2 t -58.41 -178.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 -167.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.788 ' HD3' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -170.12 110.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.545 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 94.17 -143.37 16.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.503 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.04 93.28 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 169.39 41.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.788 HG23 ' HA ' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -148.95 59.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.492 ' C ' ' O63' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -120.56 130.78 54.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.711 ' CB ' HD11 ' A' ' 144' ' ' ILE . 5.3 p90 -49.7 -177.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 150.48 -18.7 1.02 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.465 ' C ' ' CD ' ' A' ' 142' ' ' LYS . 0.1 OUTLIER -133.89 -90.29 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.719 ' HA ' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -178.4 60.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.829 ' HB3' ' C5 ' ' A' ' 178' ' ' NTS . . . -120.59 10.89 11.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.711 HD11 ' CB ' ' A' ' 139' ' ' TYR . 2.4 pt -121.74 -26.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 142' ' ' LYS . 1.1 mt -52.88 91.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.898 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.8 m-85 -88.98 119.89 29.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.52 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -102.37 106.83 50.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 134.29 17.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.798 HD11 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -133.99 63.94 64.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.885 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.05 164.9 32.35 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -172.22 56.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 11.7 t -56.75 87.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.951 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 151' ' ' VAL . 22.9 t -143.13 76.94 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.962 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.829 ' C5 ' ' HB3' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.62 2.46 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 1.8 tptt -146.54 147.79 31.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.482 HD21 ' NH2' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -163.24 129.53 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.37 162.18 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 59.3 t80 -153.39 129.9 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 151.94 39.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.417 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 5.6 t -61.14 -90.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -64.26 -68.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -35.76 -33.71 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.574 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 56.92 16.31 17.25 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -71.1 173.07 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.57 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 62.3 m-85 -137.69 102.95 4.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' HG ' HD21 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -38.42 145.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.49 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.3 OUTLIER -143.86 123.81 13.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.882 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.9 OUTLIER -110.55 146.47 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.682 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -114.2 138.14 22.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.48 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.02 7.28 2.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.04 -43.33 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.41 49.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.503 HG22 HD23 ' A' ' 40' ' ' LEU . 1.9 m -149.95 164.59 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 110.394 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.523 HG11 HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -149.25 158.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -175.84 -159.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.18 146.84 17.56 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.49 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.1 m -126.24 129.13 48.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.737 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.24 -44.16 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 51' ' ' ARG . 4.4 m-20 -134.26 107.66 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -34.31 123.0 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 179.75 69.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . 13.4 t0 -141.08 -176.03 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -55.69 -45.82 77.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.607 ' CD2' ' HG3' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -166.28 102.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.61 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.844 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -107.29 6.28 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -48.9 149.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 56' ' ' ILE . 0.9 OUTLIER -144.87 177.52 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 70' ' ' ILE . 17.8 tp60 -175.79 153.47 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.828 HD23 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -120.27 158.67 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.3 t -145.57 49.83 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.651 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -37.95 126.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.434 ' HG2' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.73 -2.32 12.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.305 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 166.23 176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 65' ' ' VAL . 4.0 m -74.13 152.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.671 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 49.85 24.13 5.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.839 ' HG2' HD12 ' A' ' 98' ' ' LEU . 5.0 tt0 -172.2 109.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 62' ' ' ALA . 9.5 m -136.76 168.5 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.973 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 17.2 m-85 -111.21 170.43 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.531 HG22 ' HB2' ' A' ' 79' ' ' LEU . 13.3 mt -155.92 128.13 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.744 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -135.23 126.49 28.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.882 ' CB ' HG21 ' A' ' 39' ' ' ILE . 4.5 t -70.93 90.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.487 HG21 ' OE1' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -49.67 90.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.607 ' HG3' ' CD2' ' A' ' 55' ' ' HIS . 2.5 tt0 -171.02 -70.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.48 HG21 ' HB3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -114.78 -42.31 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.461 ' HA2' ' HZ3' ' A' ' 71' ' ' LYS . . . 136.04 49.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.453 1.095 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.546 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 2.3 mt-30 -105.3 115.65 30.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 49.0 m-85 -87.05 128.03 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.622 HD11 HD23 ' A' ' 87' ' ' LEU . 8.4 tp -69.75 109.93 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -130.54 172.28 12.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ttm -135.73 119.36 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -75.9 -177.09 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.9 m -62.48 -12.5 22.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -89.91 -1.99 58.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.489 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 63.13 14.6 54.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -93.35 107.85 19.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.622 HD23 HD11 ' A' ' 79' ' ' LEU . 5.5 mp -39.34 128.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 4.2 p90 -150.21 166.21 30.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -80.86 153.49 34.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.117 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.66 113.24 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.95 2.66 16.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.6 p -115.18 96.18 44.6 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.95 101.57 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.56 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.8 m120 -164.37 -150.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.54 59.92 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' ASN . 3.9 tt0 -167.83 -41.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -84.3 -19.95 32.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.973 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 2.9 mm? -64.14 167.36 6.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.497 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -146.91 97.44 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.671 HD23 ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -41.94 101.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.556 ' OE1' HG11 ' A' ' 68' ' ' VAL . 3.6 tm-20 -112.45 143.2 43.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.596 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -140.49 -98.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -178.37 121.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 104' ' ' GLU . 4.4 tp10 -96.93 -61.56 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -103.13 -109.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 7.3 m120 -161.63 45.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 11.9 m-70 -167.69 -60.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.625 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.612 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 6.4 m-85 -66.74 -154.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.622 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 67.6 m-20 -169.93 86.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.482 ' CG2' HG13 ' A' ' 144' ' ' ILE . 75.6 p -71.42 124.19 24.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.363 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.828 ' OH ' HD23 ' A' ' 60' ' ' LEU . 13.5 m-85 -99.24 -173.38 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.734 HD11 ' CE1' ' A' ' 122' ' ' PHE . 1.2 mt -159.47 134.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.461 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 9.9 t -47.43 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.476 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 1.8 tttm -63.98 -16.86 62.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.664 ' CE ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -73.89 -17.9 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.664 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -172.93 66.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.509 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -74.86 -13.99 60.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.32 -15.68 11.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.564 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -105.11 1.05 28.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 137' ' ' THR . 29.0 m120 59.25 41.14 20.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 41.3 m0 -76.43 104.71 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.734 ' CE1' HD11 ' A' ' 112' ' ' ILE . 15.2 m-85 -86.75 174.89 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.588 HG23 HD21 ' A' ' 87' ' ' LEU . 7.8 p -111.98 63.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.31 133.08 10.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -99.04 122.42 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 125' ' ' LEU . 50.9 tttt -35.98 131.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.518 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -69.34 58.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 126' ' ' LYS . 2.6 m120 -148.36 -45.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 136.52 67.31 0.06 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 t 175.27 133.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.966 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.43 170.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.64 168.08 9.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.5 OUTLIER -106.15 141.84 36.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.621 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.06 -56.8 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.07 49.63 2.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.1 38.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -123.3 66.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.531 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -133.49 135.46 44.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.6 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.673 ' CB ' HD11 ' A' ' 144' ' ' ILE . 26.8 p90 -57.37 -179.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 159.29 -24.29 0.32 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.562 ' HB2' ' C10' ' A' ' 178' ' ' NTS . 0.8 OUTLIER -129.19 -85.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.27 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.423 ' CD ' ' C ' ' A' ' 141' ' ' GLN . 0.0 OUTLIER 179.57 37.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.687 ' HB2' ' C4 ' ' A' ' 178' ' ' NTS . . . -94.66 14.45 21.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.673 HD11 ' CB ' ' A' ' 139' ' ' TYR . 2.3 pt -125.97 -25.0 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.662 HD23 ' N ' ' A' ' 145' ' ' LEU . 0.7 OUTLIER -53.06 91.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 123' ' ' VAL . 2.1 m-30 -92.19 120.5 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.497 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.7 OUTLIER -101.69 107.74 52.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 125.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.033 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.2 pp -130.67 68.53 81.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.846 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.98 165.0 32.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.846 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.9 OUTLIER -165.83 51.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.4 t -60.86 82.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 151' ' ' VAL . 33.6 t -129.25 57.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.687 ' C4 ' ' HB2' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 137.6 21.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HG3' ' CA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -174.55 146.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.893 ' HG ' HD11 ' A' ' 149' ' ' LEU . 2.2 pp -148.74 111.46 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -53.57 158.0 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.495 ' HD1' ' CZ ' ' A' ' 36' ' ' PHE . 43.5 t80 -146.45 131.64 18.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -71.56 128.06 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.6 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 30.5 t -44.47 -96.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.528 ' HB3' ' CD ' ' A' ' 142' ' ' LYS . 0.7 OUTLIER -81.75 -16.56 50.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.09 -40.87 99.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 49' ' ' ARG . . . 76.34 -2.98 55.51 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.458 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 63.8 m80 -79.56 167.33 20.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.584 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.587 ' CE2' ' HG3' ' A' ' 51' ' ' ARG . 52.5 m-85 -137.04 102.68 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.78 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -44.72 162.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.09 172.0 16.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.586 HD13 ' HB3' ' A' ' 72' ' ' SER . 0.2 OUTLIER -149.94 112.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.827 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -88.47 140.59 30.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 8.91 2.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -94.42 -30.61 14.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.28 30.99 1.61 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.827 ' HB ' HD12 ' A' ' 40' ' ' LEU . 2.9 m -130.2 145.06 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 46' ' ' ASP . 3.0 t -120.99 171.97 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.553 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.46 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.629 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -136.46 138.99 10.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' PHE . 1.2 m -111.33 126.18 54.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 34' ' ' GLY . 1.4 ttt180 -52.75 -46.38 67.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 51' ' ' ARG . 3.4 m-20 -128.13 100.22 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.587 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -30.93 118.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t 179.45 69.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -139.96 -173.57 3.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.477 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -58.03 -43.21 86.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.477 ' N ' HE21 ' A' ' 54' ' ' GLN . 14.1 m-70 -169.98 104.52 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.617 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.577 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -110.19 17.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -74.02 134.28 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 56' ' ' ILE . 3.7 mp -127.08 -177.68 4.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 70' ' ' ILE . 6.2 tp-100 -173.13 150.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.59 HD23 HG12 ' A' ' 70' ' ' ILE . 0.6 OUTLIER -109.42 163.82 13.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.8 t -145.5 54.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.043 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . . . -39.35 126.6 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.961 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -119.0 -0.88 11.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.76 135.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -43.13 135.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.53 -2.78 61.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.82 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.2 tt0 -149.96 103.72 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 0.801 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.896 ' O ' HD23 ' A' ' 98' ' ' LEU . 28.4 m -128.12 163.97 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.523 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 10.5 m-85 -116.71 169.9 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.668 HD12 ' CD2' ' A' ' 99' ' ' PHE . 87.1 mt -146.46 128.0 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -137.57 108.55 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.586 ' HB3' HD13 ' A' ' 39' ' ' ILE . 4.9 t -65.48 88.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 73' ' ' THR . 12.9 t -59.62 100.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 75' ' ' THR . 10.7 pt-20 -176.82 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 4.4 t -122.39 -32.94 3.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.54 46.79 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.14 122.03 42.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 52.4 m-85 -83.9 152.38 24.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.572 ' HB2' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -93.26 127.34 38.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -147.23 -166.5 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.481 ' HE2' ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -152.36 93.64 1.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.596 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 63.1 m-20 -46.59 171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.576 HG23 ' NE2' ' A' ' 116' ' ' HIS . 1.5 m -71.61 -10.96 60.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.28 -5.78 53.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.481 ' O ' ' HE2' ' A' ' 81' ' ' MET . . . 76.15 20.71 77.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.533 HD23 ' N ' ' A' ' 87' ' ' LEU . 2.6 tt -113.0 122.22 46.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.533 ' N ' HD23 ' A' ' 86' ' ' LEU . 3.0 mp -50.15 125.78 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -150.82 166.05 31.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.01 147.59 17.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.7 t -135.4 148.32 49.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.54 0.74 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.0 p -117.84 88.75 31.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLU . 3.6 m120 -153.02 -151.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.33 69.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 94' ' ' ASN . 22.1 tt0 179.99 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.572 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.0 t -80.56 -32.7 36.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.961 HD21 ' HG2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -53.21 175.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.712 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -152.58 122.34 6.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 100.94 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.8 OUTLIER -80.21 134.11 36.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.567 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.5 OUTLIER -144.48 74.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.567 ' C ' ' O ' ' A' ' 102' ' ' ARG . 14.1 tp -27.34 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -57.07 -42.98 81.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.6 tt0 -130.23 -105.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 6.1 t30 -138.36 38.43 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.688 ' HB3' HD23 ' A' ' 147' ' ' LEU . 13.2 m-70 179.99 -67.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 1.014 ' CD2' HD23 ' A' ' 145' ' ' LEU . 10.4 m-85 -53.58 102.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 15.3 m-20 -82.86 65.8 8.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.8 p -48.39 97.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 101' ' ' GLU . 12.2 m-85 -81.53 -174.48 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.999 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -166.82 125.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 112' ' ' ILE . 11.2 t -35.44 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 112' ' ' ILE . 25.7 tttm -56.71 -18.6 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -90.61 -2.22 57.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.772 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 11.8 m-70 -152.94 39.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.605 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.2 -16.36 62.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.74 -25.39 53.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.3 -2.88 32.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 66.67 25.14 9.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.772 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 22.8 m0 -62.94 82.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.037 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.999 ' CE1' HD11 ' A' ' 112' ' ' ILE . 15.7 m-85 -60.73 -171.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 123' ' ' VAL . 3.8 p -128.42 19.68 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.429 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -85.98 113.44 3.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.78 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -68.26 120.79 14.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.627 ' O ' ' N ' ' A' ' 128' ' ' ASN . 1.5 tttt -20.89 114.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.26 61.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.6 t-20 -150.56 -41.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.458 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.63 69.1 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.72 135.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 132' ' ' LYS . 42.1 t -52.49 157.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.443 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 0.8 OUTLIER -126.31 159.14 33.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.472 ' CB ' ' HD2' ' A' ' 135' ' ' PRO . 0.3 OUTLIER -92.8 154.17 18.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -44.24 -50.51 7.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.3 Cg_endo -75.01 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 170.4 39.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 2.7 p -140.27 104.58 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.425 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.584 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -145.64 -177.02 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.605 ' CD2' ' O63' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -56.11 -158.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 42.62 22.0 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.678 ' O ' ' N ' ' A' ' 143' ' ' ALA . 1.7 mp0 -128.01 83.06 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 110.238 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.849 ' HA ' HD13 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -35.39 -24.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.678 ' N ' ' O ' ' A' ' 141' ' ' GLN . . . -50.93 -40.83 58.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.629 HD12 ' CE2' ' A' ' 122' ' ' PHE . 19.9 pt -68.13 -33.19 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 1.014 HD23 ' CD2' ' A' ' 108' ' ' TYR . 4.7 mp -65.98 111.83 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' A' ' 143' ' ' ALA . 17.6 m-85 -124.44 126.03 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' ' 107' ' ' HIS . 2.3 tm? -117.22 105.27 49.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.62 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.4 Cg_endo -74.95 137.38 21.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.893 HD11 ' HG ' ' A' ' 27' ' ' LEU . 3.0 pp -123.14 79.04 52.02 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.882 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.1 Cg_endo -75.07 -178.6 4.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -177.22 38.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.4 t -60.7 84.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.0 t -152.31 81.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.934 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.613 ' C6 ' HD11 ' A' ' 145' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' CB ' ' OE1' ' A' ' 57' ' ' GLN . 1.3 mttt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.91 ' HB2' HG23 ' A' ' 151' ' ' VAL . 18.5 Cg_endo -74.93 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.42 1.747 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CE ' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -173.99 132.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CE ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -167.27 157.52 11.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.14 151.14 22.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.596 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 90.0 t80 -132.37 127.3 35.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.13 148.44 26.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 108.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 1.6 t -45.09 -94.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.457 ' N ' ' OG ' ' A' ' 31' ' ' SER . 6.5 t-20 -74.73 164.16 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.98 -48.59 3.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.617 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 85.88 16.32 63.6 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' HA ' ' O ' ' A' ' 48' ' ' THR . 56.1 m80 -63.58 136.87 57.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.602 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 34' ' ' GLY . 51.4 m-85 -109.77 97.67 7.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.675 ' HG ' HD21 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -37.44 133.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.738 ' NH2' HG21 ' A' ' 48' ' ' THR . 3.8 ptp180 -131.7 169.21 16.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.536 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -140.28 116.78 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.715 HD12 HG22 ' A' ' 44' ' ' THR . 0.9 OUTLIER -85.22 141.51 37.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.575 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.97 10.85 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.819 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.56 -28.62 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.57 17.68 4.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.715 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.05 128.33 51.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.392 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.543 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -106.99 166.72 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.649 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 169.85 -172.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.813 ' HA3' HD22 ' A' ' 125' ' ' LEU . . . -128.1 151.12 18.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.738 HG21 ' NH2' ' A' ' 38' ' ' ARG . 27.7 m -125.95 122.85 37.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' THR . 2.2 ttt-85 -35.92 -34.29 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.58 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -152.37 116.29 4.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.555 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -24.68 94.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.1 p -125.69 40.2 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.694 ' HB3' HG22 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -143.56 144.4 31.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.474 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -63.02 -10.22 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CE1' ' HD3' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -143.67 92.95 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.61 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.694 HG22 ' HB3' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -129.85 6.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' HD13 ' A' ' 56' ' ' ILE . 50.7 mt-30 -75.15 154.67 37.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -145.62 171.74 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 1.7 tp60 -164.66 138.39 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.735 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -101.56 160.83 14.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.36 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.431 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.4 t -146.93 50.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -38.72 124.9 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.56 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -114.5 -1.95 13.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.79 178.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.437 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -81.28 150.57 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 100' ' ' LEU . . . 57.99 21.43 45.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.868 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.2 pm0 -175.2 121.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.586 HG12 ' CB ' ' A' ' 62' ' ' ALA . 19.8 m -139.9 165.51 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.851 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 16.0 m-85 -103.09 176.28 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.518 ' CG1' ' O ' ' A' ' 69' ' ' TYR . 10.4 mt -157.88 127.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -136.63 125.15 23.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.536 ' CB ' HG21 ' A' ' 39' ' ' ILE . 47.8 t -80.12 72.35 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 73' ' ' THR . 12.9 t -37.37 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 72' ' ' SER . 0.9 OUTLIER 173.05 -51.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 76' ' ' GLY . 70.5 p -97.83 -110.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.424 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -172.2 58.16 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.99 154.55 24.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 0.739 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 5.2 m-85 -113.5 134.72 54.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.515 ' HB2' HG22 ' A' ' 70' ' ' ILE . 7.2 tp -46.89 146.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.526 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -165.5 176.15 8.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.926 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.26 113.75 8.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -72.0 178.57 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.1 m -61.1 -13.71 19.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.75 12.87 11.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.468 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 46.57 27.16 2.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -107.55 110.15 21.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.747 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.926 HD12 ' HG3' ' A' ' 81' ' ' MET . 3.0 mp -39.72 136.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.469 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.0 p90 -163.19 146.93 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -79.81 142.01 24.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.34 122.6 22.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -0.08 19.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.098 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -115.06 94.84 40.08 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 105.43 2.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.768 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.581 ' O ' HD23 ' A' ' 98' ' ' LEU . 3.2 m120 -161.11 -153.68 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.98 67.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.479 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 20.8 tt0 -175.08 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.526 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.7 t -65.17 -26.53 68.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 108.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.868 HD12 ' HB2' ' A' ' 67' ' ' GLU . 1.9 mm? -51.71 163.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.424 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -144.35 104.82 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.642 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -53.21 96.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.568 ' HB2' HG22 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -89.48 163.05 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.516 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER 179.68 93.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.578 HD21 ' N ' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -31.04 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 102' ' ' ARG . 4.0 tm-20 -63.52 -58.2 7.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -101.34 -113.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.599 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 28.5 t30 -142.1 43.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 8.4 m80 -175.0 -69.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.615 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 8.1 m-85 -47.2 176.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.627 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 16.3 m120 -143.73 61.25 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.486 ' CG2' HG13 ' A' ' 144' ' ' ILE . 40.7 p -48.91 129.5 17.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.627 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 2.8 m-85 -112.13 179.41 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.931 HD11 ' CZ ' ' A' ' 122' ' ' PHE . 11.1 mt -154.82 136.21 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.639 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 9.0 t -44.14 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.521 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -68.8 -9.15 49.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HG3' ' CB ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -83.83 -13.71 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.639 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -174.55 62.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.642 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -72.74 -4.57 32.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.85 -10.46 20.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.517 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.1 OUTLIER -115.39 5.35 14.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.447 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.9 OUTLIER 55.97 39.1 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.6 m0 -71.04 92.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 107.988 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.931 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 12.6 m-85 -75.52 178.09 6.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.632 HG23 HD21 ' A' ' 87' ' ' LEU . 14.1 p -118.89 95.7 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -145.54 174.4 25.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.813 HD22 ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -135.29 118.05 16.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 128' ' ' ASN . 2.9 tttt -33.65 128.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.09 58.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -149.14 -44.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 138.78 66.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.84 128.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 109.989 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.06 -177.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 108.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.94 173.75 6.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' GLY . 2.6 ttt180 -109.92 152.25 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.59 -58.18 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.499 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.98 51.9 2.91 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.46 38.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -127.05 63.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.406 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.514 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -132.74 131.12 40.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.601 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.687 ' CB ' HD11 ' A' ' 144' ' ' ILE . 9.0 p90 -57.22 -174.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 154.63 -25.9 0.66 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.526 ' HB2' ' C10' ' A' ' 178' ' ' NTS . 1.6 mp0 -126.48 -81.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.467 ' CA ' ' HG ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 172.43 40.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.586 ' HB2' ' C4 ' ' A' ' 178' ' ' NTS . . . -96.04 5.41 51.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.687 HD11 ' CB ' ' A' ' 139' ' ' TYR . 2.2 pt -116.72 -24.25 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.682 HD23 ' N ' ' A' ' 145' ' ' LEU . 1.7 mt -49.81 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.671 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 1.4 m-85 -91.94 119.53 31.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.51 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -106.7 108.83 62.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.7 24.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.585 1.834 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.504 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.4 pp -134.11 62.92 59.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.809 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 167.2 27.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.91 HG23 ' HB2' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -169.74 41.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.4 t -61.5 83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 151' ' ' VAL . 33.8 t -128.03 58.41 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.586 ' C4 ' ' HB2' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.02 94.02 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -103.22 145.61 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.807 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -139.04 107.04 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -88.09 129.35 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 58.3 t80 -121.59 130.28 53.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -75.93 135.81 40.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.293 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -37.21 -87.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.451 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -85.13 -53.94 4.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -35.35 -39.62 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 69.61 4.72 47.37 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 48' ' ' THR . 71.0 m80 -74.73 152.24 39.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.567 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 15.2 m-85 -119.04 105.21 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.668 ' HB3' HD11 ' A' ' 58' ' ' LEU . 5.9 mt -41.95 145.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -139.56 -176.68 4.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.699 HD13 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -165.95 139.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.73 HD23 HG22 ' A' ' 44' ' ' THR . 0.5 OUTLIER -108.47 141.38 23.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.478 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.02 5.19 4.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.08 -48.57 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.96 44.8 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.153 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.73 HG22 HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -144.71 168.52 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.434 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.561 HG11 HD11 ' A' ' 79' ' ' LEU . 1.4 t -146.91 164.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.456 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -176.58 -162.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.63 131.34 6.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.445 ' N ' ' HD2' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -91.06 145.01 25.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.12 -19.0 24.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.6 m-20 -150.82 91.85 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.601 ' CD ' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -30.88 94.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.0 t 178.66 66.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -133.51 -176.16 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.563 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -40.24 -49.09 2.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.563 ' N ' HE21 ' A' ' 54' ' ' GLN . 5.4 m-70 -177.15 101.08 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.647 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -102.58 4.14 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.446 ' N ' HD13 ' A' ' 56' ' ' ILE . 3.9 mp0 -52.8 163.25 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 37' ' ' LEU . 21.5 mt -157.15 175.7 13.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -171.53 120.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.516 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -87.13 162.72 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' ALA . 24.9 t -147.62 57.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -38.56 125.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.537 ' CG ' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -119.79 2.31 11.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER 162.86 125.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -41.77 140.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.568 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 77.38 5.9 86.03 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.68 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.3 tt0 -169.46 105.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.829 ' O ' HD23 ' A' ' 98' ' ' LEU . 29.9 m -121.82 171.17 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 4.9 m-85 -114.68 169.01 9.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.756 HD12 ' HD2' ' A' ' 99' ' ' PHE . 94.8 mt -146.24 126.18 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -132.8 101.09 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.56 ' CB ' HG21 ' A' ' 39' ' ' ILE . 15.0 t -56.35 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 73' ' ' THR . 4.5 t -58.01 107.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 23.9 tp10 168.67 -41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.478 HG21 ' HB3' ' A' ' 41' ' ' PRO . 1.8 t -149.47 47.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.13 75.48 0.07 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.5 OUTLIER -134.51 134.31 41.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.281 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 34.1 m-85 -109.74 118.43 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.728 ' HG ' HD23 ' A' ' 87' ' ' LEU . 7.8 tp -68.09 127.82 34.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.667 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -150.08 -176.87 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.576 ' SD ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -137.66 119.53 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.603 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 69.2 m-20 -77.26 174.9 10.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -63.57 -12.34 32.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.75 -3.27 46.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 70.21 5.97 55.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -102.25 111.37 23.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.728 HD23 ' HG ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -39.67 138.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.603 ' CE2' ' OD1' ' A' ' 82' ' ' ASP . 1.5 p90 -152.12 176.6 11.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.595 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -92.38 149.06 19.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.92 112.16 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -5.77 29.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -115.32 98.83 51.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 102.9 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.8 m120 -161.91 -148.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -67.67 63.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 21.9 tt0 -170.6 -44.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.667 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 4.2 t -78.73 -35.46 44.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -48.56 173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.756 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -153.71 104.72 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -51.14 97.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 7.6 tt0 -88.75 143.94 26.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -165.01 86.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.8 OUTLIER -28.35 97.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.0 tm-20 -58.23 -51.27 70.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.483 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.3 tt0 -101.18 -104.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 1.3 t-20 -149.99 34.51 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.578 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 11.0 m-70 -168.58 -63.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.582 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 13.1 m-85 -60.06 160.27 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.614 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 14.1 m-20 -128.16 84.17 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.485 ' CG2' HG13 ' A' ' 144' ' ' ILE . 76.2 p -70.29 104.38 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 10.0 m-85 -84.98 178.41 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.454 HG21 ' HB1' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -152.7 148.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.534 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 46.2 t -56.91 86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' ILE . 1.3 tmtm? -52.03 -24.26 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.63 ' CE ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.18 -38.8 92.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.63 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -152.92 65.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.572 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.454 ' HB1' HG21 ' A' ' 112' ' ' ILE . . . -73.85 -3.99 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -60.21 -14.6 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 1.4 tttt -112.67 4.8 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.37 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 122' ' ' PHE . 1.1 m-20 61.4 20.73 11.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 35.7 m0 -54.32 92.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 108.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.653 ' CE1' HD12 ' A' ' 144' ' ' ILE . 9.1 m-85 -71.95 -172.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.707 HG23 HD11 ' A' ' 87' ' ' LEU . 7.6 p -119.59 25.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.545 ' HA3' HG22 ' A' ' 144' ' ' ILE . . . -65.17 -158.53 0.38 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.831 HD12 ' N ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -170.27 108.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.563 ' O ' ' N ' ' A' ' 128' ' ' ASN . 32.7 tttt -28.78 128.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.61 60.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 126' ' ' LYS . 19.7 m120 -147.84 -43.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 133.94 70.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 170.25 142.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.777 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.96 169.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.635 ' CB ' HG23 ' A' ' 137' ' ' THR . 5.1 mttt -103.72 153.94 20.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -88.57 145.91 25.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.616 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.11 -62.3 0.73 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.0 Cg_endo -75.01 52.29 3.02 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.24 39.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.635 HG23 ' CB ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -126.82 51.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.493 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 0.7 OUTLIER -120.54 135.42 55.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.56 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.72 ' HB2' HD11 ' A' ' 144' ' ' ILE . 9.3 p90 -58.03 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.513 ' N ' ' CD2' ' A' ' 139' ' ' TYR . . . 144.66 -14.79 2.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.529 ' HB3' ' C4 ' ' A' ' 178' ' ' NTS . 1.8 mp0 -134.46 -89.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.421 ' CA ' ' HG ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 177.74 39.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.619 ' HB2' ' C4 ' ' A' ' 178' ' ' NTS . . . -97.62 7.32 46.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.72 HD11 ' HB2' ' A' ' 139' ' ' TYR . 3.3 pt -118.43 -23.42 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.757 HD23 ' N ' ' A' ' 145' ' ' LEU . 0.2 OUTLIER -59.36 93.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.586 ' HB3' HD21 ' A' ' 28' ' ' LEU . 4.0 m-85 -89.81 125.46 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.45 HD22 ' HD2' ' A' ' 148' ' ' PRO . 0.7 OUTLIER -105.6 104.48 48.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.45 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -74.99 121.35 6.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.615 HD11 HD21 ' A' ' 27' ' ' LEU . 1.2 pp -133.89 67.07 73.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 18.2 Cg_endo -75.0 178.63 7.01 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 150' ' ' PRO . 5.1 m -151.54 49.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 24.5 t -78.01 82.57 4.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 33.3 t -107.75 77.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.619 ' C4 ' ' HB2' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.49 ' O ' ' CG2' ' A' ' 151' ' ' VAL . 18.6 Cg_endo -74.93 -66.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HG3' ' CA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -96.64 148.64 22.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -150.0 102.26 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.942 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -55.12 170.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.779 ' H ' HD23 ' A' ' 28' ' ' LEU . 4.2 t80 -172.8 148.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.628 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 14.4 m -72.82 160.25 32.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.596 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 34.3 p -71.58 -95.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.7 ' O ' ' N ' ' A' ' 34' ' ' GLY . 14.4 t30 -49.33 90.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 18.68 45.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.7 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -77.3 -153.25 5.57 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 1.2 m80 -99.03 178.21 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 0.804 . . . . 0.0 109.632 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.65 ' CD2' ' HB2' ' A' ' 29' ' ' TYR . 38.9 m-85 -119.14 99.12 6.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.824 ' HG ' HD11 ' A' ' 125' ' ' LEU . 4.5 mt -34.29 142.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.514 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 2.7 ptp180 -141.99 148.06 37.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -126.46 115.81 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.745 ' CD2' HE22 ' A' ' 54' ' ' GLN . 0.7 OUTLIER -86.26 141.87 35.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.02 9.19 2.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -93.41 -27.94 16.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.84 14.99 5.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 40' ' ' LEU . 1.1 m -120.44 133.01 55.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -111.27 166.43 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.588 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 175.8 -172.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.732 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -133.6 140.76 12.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.511 HG21 ' NH2' ' A' ' 38' ' ' ARG . 3.5 m -115.4 126.5 54.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -38.81 -39.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.565 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 54.2 m-20 -143.51 120.0 11.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.599 ' HD3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -35.23 119.71 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 179.49 70.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.544 ' OD2' ' NE2' ' A' ' 54' ' ' GLN . 8.1 t0 -144.93 -176.17 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.745 HE22 ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -56.86 -37.49 71.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 2.6 m-70 -179.5 109.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -105.55 17.69 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -46.42 146.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -151.82 166.78 30.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -179.77 143.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.544 HD13 ' OH ' ' A' ' 111' ' ' TYR . 1.2 mt -100.93 161.59 13.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.8 t -146.1 53.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.043 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.98 125.99 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.681 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -118.32 -0.25 11.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.97 129.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.409 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -40.68 138.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.59 -7.31 58.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.703 ' HG2' HD13 ' A' ' 98' ' ' LEU . 3.1 tt0 -153.05 104.24 2.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.823 ' O ' HD23 ' A' ' 98' ' ' LEU . 35.2 m -125.94 162.9 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.477 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 12.2 m-85 -111.32 167.3 10.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.903 HD12 ' CD2' ' A' ' 99' ' ' PHE . 89.4 mt -144.41 128.93 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.3 OUTLIER -135.33 134.3 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.551 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 31.3 t -87.63 71.49 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 73' ' ' THR . 14.8 t -40.57 95.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' SER . 26.8 tp10 176.77 -48.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' GLY . 7.4 t -142.33 45.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.372 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.97 52.67 1.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.31 115.55 29.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 60.7 m-85 -95.96 146.96 24.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 79' ' ' LEU . 5.4 tp -89.31 144.86 25.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.722 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -167.2 173.85 8.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.977 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.08 117.45 10.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.594 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 37.1 m-20 -76.59 171.69 14.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 m -57.04 -16.52 7.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.6 8.03 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.484 ' O ' ' HE3' ' A' ' 81' ' ' MET . . . 53.35 19.19 8.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -98.18 104.11 16.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.977 HD12 ' HG3' ' A' ' 81' ' ' MET . 5.0 mp -38.57 134.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.594 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.4 p90 -162.62 165.07 26.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -119.41 164.46 13.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.64 155.32 29.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.746 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.16 3.43 17.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.238 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.8 p -116.11 90.21 27.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 97' ' ' CYS . 18.4 Cg_endo -75.0 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' GLU . 7.5 m120 -146.58 -172.27 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -37.98 -31.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.251 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 94' ' ' ASN . 25.1 tt0 -68.93 -61.08 1.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.722 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 8.9 t -56.46 -30.8 63.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.823 HD23 ' O ' ' A' ' 68' ' ' VAL . 1.4 mt -56.84 172.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.903 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -151.36 113.32 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.597 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -54.86 100.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' CD ' HG11 ' A' ' 68' ' ' VAL . 4.0 tt0 -62.5 166.46 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 104' ' ' GLU . 3.8 mtm180 179.49 91.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.538 ' HA ' HD23 ' A' ' 103' ' ' LEU . 0.5 OUTLIER -60.48 83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.617 ' HG3' HD21 ' A' ' 145' ' ' LEU . 0.6 OUTLIER -39.72 -47.65 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.8 OUTLIER -130.31 -100.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.588 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 3.0 t-20 -143.3 38.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.588 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -175.45 -65.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.631 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 31' ' ' SER . 6.2 m-85 -59.39 116.75 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.649 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 6.9 m-20 -97.1 77.59 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.887 ' CG2' HD23 ' A' ' 145' ' ' LEU . 82.2 p -67.15 96.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.45 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 22.0 m-85 -79.13 -178.5 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.963 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.661 HD11 ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -160.95 132.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.614 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 6.1 t -37.45 105.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.597 ' HG2' HD12 ' A' ' 100' ' ' LEU . 3.0 tmtm? -70.7 -24.14 62.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.512 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -72.43 -8.75 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.614 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.85 67.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.496 ' CB ' HG23 ' A' ' 112' ' ' ILE . . . -77.82 -16.78 58.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.37 -15.95 12.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.2 OUTLIER -100.7 -3.01 31.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.2 OUTLIER 63.35 33.49 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.584 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 40.2 m0 -71.77 88.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.661 ' CD1' HD11 ' A' ' 112' ' ' ILE . 23.9 m-85 -69.51 -178.98 1.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 123' ' ' VAL . 7.4 p -116.99 13.84 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.419 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -89.56 104.43 3.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.824 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.79 116.99 4.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 0.791 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.97 125.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.456 ' C ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.3 59.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -134.58 -46.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.585 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.71 58.21 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 131' ' ' CYS . 2.1 m 169.15 125.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' SER . 6.7 t -43.31 163.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.279 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.474 ' HE2' ' CD ' ' A' ' 126' ' ' LYS . 8.5 mptt -134.22 141.93 47.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -65.48 161.71 19.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -37.53 -59.12 1.32 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.22 3.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.422 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -172.96 32.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 2.5 p -144.46 102.32 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.392 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.552 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -149.85 174.75 12.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.514 ' CD2' ' O61' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -53.08 -167.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.541 ' O ' ' C4 ' ' A' ' 178' ' ' NTS . . . 74.63 -11.98 6.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.437 ' H ' ' C ' ' A' ' 139' ' ' TYR . 16.0 mp0 -119.89 125.11 47.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.612 ' HG2' ' C4 ' ' A' ' 178' ' ' NTS . 2.5 mmtt -70.6 1.68 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 125' ' ' LEU . . . -63.54 -34.86 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.558 HG22 ' HB3' ' A' ' 122' ' ' PHE . 4.3 pt -69.52 -33.26 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.887 HD23 ' CG2' ' A' ' 110' ' ' THR . 12.1 mt -68.77 114.68 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.942 ' HB3' HD21 ' A' ' 28' ' ' LEU . 5.4 m-85 -119.6 126.87 52.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 149' ' ' LEU . 0.5 OUTLIER -115.87 98.83 51.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.81 22.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -126.48 82.15 66.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.893 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.6 Cg_endo -74.93 172.9 15.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.893 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -173.11 35.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.0 t -39.13 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.5 t -173.63 68.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.046 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.612 ' C4 ' ' HG2' ' A' ' 142' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 9.4 mttt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.03 142.1 27.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HZ1' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -149.95 139.17 21.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.801 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.15 104.61 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.652 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -75.5 177.5 6.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.853 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 11.4 t80 -171.46 157.25 4.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.577 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 92.0 m -79.95 126.93 31.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.616 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 9.2 t -29.74 -96.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.654 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.7 t-20 -52.16 -175.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.79 52.01 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -83.36 -139.58 3.75 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.616 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 2.2 m80 -120.82 179.64 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.577 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.853 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 12.3 m-85 -122.7 104.16 9.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.975 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -38.46 147.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.693 ' HD3' HD21 ' A' ' 40' ' ' LEU . 5.5 ptp180 -144.68 129.97 18.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.721 HD12 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -106.82 110.84 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.693 HD21 ' HD3' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -86.95 142.34 34.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.95 7.58 2.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.46 -30.57 15.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.01 23.75 4.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.559 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.8 137.65 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.376 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.721 HG13 HD12 ' A' ' 39' ' ' ILE . 2.1 t -113.15 167.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 171.48 -171.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -138.6 138.83 9.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.446 ' C ' ' HB3' ' A' ' 35' ' ' HIS . 6.5 m -111.0 124.83 52.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.493 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -36.33 -54.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -133.55 106.75 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.646 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -24.02 131.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 p 179.76 48.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.927 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.559 ' HB3' HG23 ' A' ' 56' ' ' ILE . 5.1 t0 -121.57 -172.96 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 55' ' ' HIS . 3.0 pm0 -77.22 -30.34 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.435 ' N ' ' CD ' ' A' ' 54' ' ' GLN . 9.9 m-70 -169.4 103.54 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.608 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.815 HD12 ' C ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -115.41 1.27 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.9 mt-30 -50.56 154.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.5 mp -144.86 179.95 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 70' ' ' ILE . 1.3 tt0 -168.32 142.86 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.528 HD23 HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -109.83 160.42 16.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.9 t -142.74 52.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.635 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -40.23 127.89 2.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.634 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -119.44 -0.88 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 159.72 127.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' SER . 4.3 m -38.75 144.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 74.29 6.24 74.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.862 ' OE2' HD13 ' A' ' 98' ' ' LEU . 3.3 tt0 -169.61 106.07 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.878 ' O ' HD23 ' A' ' 98' ' ' LEU . 19.5 m -128.22 166.74 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.58 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 10.3 m-85 -112.64 167.49 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.528 HG12 HD23 ' A' ' 60' ' ' LEU . 63.1 mt -146.91 130.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -143.06 93.33 2.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 t -60.42 82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -49.01 106.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.419 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 172.09 -33.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 t -152.56 37.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 37.67 61.24 1.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.13 124.89 45.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 31.8 m-85 -100.11 121.99 42.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.574 HD22 HD11 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -62.24 135.07 57.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -153.34 179.2 8.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.439 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -146.35 113.23 6.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 85' ' ' GLY . 69.3 m-20 -71.78 175.63 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.463 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 20.7 m -54.3 -19.91 6.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.2 13.5 15.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.478 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 46.3 24.19 1.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -93.22 106.65 18.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LEU . 9.1 mp -39.03 118.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' A' ' 80' ' ' ALA . 3.8 p90 -140.95 166.62 24.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.3 155.13 16.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.73 143.56 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.21 5.3 17.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -116.23 92.0 34.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.45 ' HA ' ' CB ' ' A' ' 97' ' ' CYS . 18.3 Cg_endo -74.98 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' GLU . 7.8 m120 -141.71 -174.12 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -38.06 -30.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' ASN . 28.8 tt0 -70.91 -54.18 12.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 6.0 t -56.75 -45.76 81.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 68' ' ' VAL . 1.6 mt -46.16 170.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.526 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.64 100.95 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.998 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -43.15 96.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' GLY . 6.5 tm-20 -110.83 149.03 31.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.84 HH21 HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -140.85 -91.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.62 124.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.972 ' OE1' HD21 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -102.91 -47.27 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.417 ' O ' HD22 ' A' ' 103' ' ' LEU . 1.7 tt0 -130.43 -139.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 3.0 t-20 -121.28 50.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.5 m170 179.65 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.972 ' CD2' HD23 ' A' ' 145' ' ' LEU . 5.3 m-85 -76.85 158.67 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.662 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 12.4 m120 -134.02 58.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.494 ' CG2' ' HG ' ' A' ' 145' ' ' LEU . 29.4 p -37.6 150.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.347 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.662 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -134.25 177.03 8.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.178 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.84 HD12 HH21 ' A' ' 102' ' ' ARG . 0.4 OUTLIER -156.95 125.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.641 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 23.0 t -36.0 107.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.711 ' HG2' HD12 ' A' ' 100' ' ' LEU . 4.1 tmtm? -68.36 -25.33 65.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.507 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -68.55 -8.99 46.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.641 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -178.8 68.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.602 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -83.92 6.35 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.66 -16.65 61.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.603 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -105.22 -2.97 23.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.475 ' HA ' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER 68.53 20.16 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.607 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 44.7 m0 -54.08 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.77 ' CE2' HD11 ' A' ' 112' ' ' ILE . 9.8 m-85 -79.06 175.48 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 123' ' ' VAL . 9.9 p -106.48 26.04 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.493 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -100.54 103.32 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.975 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -59.72 113.79 2.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 128' ' ' ASN . 17.0 tttt -24.6 116.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 63.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.638 ' N ' ' O ' ' A' ' 126' ' ' LYS . 8.7 t-20 -134.5 -44.68 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.616 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 122.47 64.92 0.22 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.14 124.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.761 . . . . 0.0 110.063 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.446 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 5.7 t -49.94 145.62 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.486 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -122.59 169.49 10.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.95 -178.65 3.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -45.08 -63.15 2.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 54.26 3.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.486 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.2 OUTLIER 179.21 36.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 134' ' ' GLY . 1.7 t -158.83 100.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 139' ' ' TYR . 6.3 m80 -146.72 -171.66 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.611 ' CD1' ' CD1' ' A' ' 144' ' ' ILE . 0.0 OUTLIER -57.55 -155.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.452 ' N ' ' O61' ' A' ' 178' ' ' NTS . . . 54.88 11.8 3.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.451 ' C ' ' N ' ' A' ' 143' ' ' ALA . 2.4 mt-30 -140.51 107.67 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.554 ' HG2' ' C10' ' A' ' 178' ' ' NTS . 9.6 mmtt -50.76 -15.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -48.98 -37.38 20.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.716 ' CG1' HD12 ' A' ' 145' ' ' LEU . 13.0 pt -65.73 -36.83 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.972 HD21 ' OE1' ' A' ' 104' ' ' GLU . 6.2 mp -74.94 112.19 10.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.827 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 4.7 m-85 -111.18 123.99 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.714 ' O ' HD23 ' A' ' 149' ' ' LEU . 1.0 OUTLIER -109.84 100.92 45.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.446 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.02 136.85 20.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -130.47 68.89 81.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.67 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.04 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' ' 150' ' ' PRO . 12.0 m -159.26 27.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 12.4 t -46.98 110.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 58.4 m -153.53 66.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.582 ' O63' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 83.12 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.597 ' HZ1' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER 172.02 126.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.457 ' HG ' HD11 ' A' ' 149' ' ' LEU . 2.3 pp -163.66 152.29 13.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.59 146.63 26.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 30.1 t80 -135.5 147.3 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.543 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -90.06 151.4 21.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.518 ' OG ' ' CG ' ' A' ' 142' ' ' LYS . 77.3 p -65.12 -97.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.485 ' HB2' ' CG ' ' A' ' 142' ' ' LYS . 1.8 t30 -65.13 -52.84 52.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' ND1' ' A' ' 35' ' ' HIS . . . -35.85 -39.28 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 67.11 7.7 45.69 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 3.8 m80 -89.09 164.12 15.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 109.594 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 77.1 m-85 -125.9 101.53 6.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.025 HD23 HD21 ' A' ' 125' ' ' LEU . 4.8 mt -37.01 154.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.498 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 7.4 ptp180 -153.19 146.61 24.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.818 HD12 HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -123.05 119.3 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.69 HD12 HG22 ' A' ' 44' ' ' THR . 0.9 OUTLIER -87.05 141.72 33.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.02 7.79 2.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -90.48 -30.15 17.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.22 13.95 5.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.69 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -114.31 163.37 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.428 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.818 HG13 HD12 ' A' ' 39' ' ' ILE . 1.7 t -130.49 165.42 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.616 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 176.37 178.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.886 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -126.1 156.59 19.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 21.7 m -131.83 123.96 28.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -46.32 -24.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 48' ' ' THR . 1.6 m-20 -152.8 126.77 9.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.577 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -47.54 122.26 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.414 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.3 t 179.77 70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.3 t0 -150.49 168.7 23.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.26 -52.94 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.518 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 15.1 m-70 -159.31 99.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.5 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -103.69 26.91 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.569 ' C ' HD12 ' A' ' 58' ' ' LEU . 1.3 mp0 -85.41 132.17 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.597 ' N ' ' HZ1' ' A' ' 26' ' ' LYS . 5.1 mp -137.04 116.44 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.592 ' O ' HG23 ' A' ' 70' ' ' ILE . 8.8 tp-100 -104.65 160.87 14.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.571 HD22 ' OH ' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -111.08 158.44 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 11.7 t -143.03 51.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.559 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -39.82 123.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.724 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -114.3 -0.53 13.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 170.82 178.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.975 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -82.26 150.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.591 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 58.72 20.88 49.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.945 ' HB2' HD22 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -176.58 122.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.307 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 62' ' ' ALA . 16.7 m -139.76 173.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.578 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 19.5 m-85 -118.3 165.74 13.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 59' ' ' GLN . 95.5 mt -143.77 129.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HG2' ' CG ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -137.77 114.16 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 74' ' ' GLU . 11.1 t -65.96 88.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 73' ' ' THR . 15.0 t -50.83 90.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.518 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 171.01 -60.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.4 p -79.88 -117.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.67 57.79 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.461 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -159.93 171.98 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 0.805 . . . . 0.0 110.24 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 71' ' ' LYS . 6.0 m-85 -127.93 144.88 51.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.569 HD23 HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -54.13 146.74 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.518 ' H ' HD13 ' A' ' 79' ' ' LEU . . . -163.15 166.05 23.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.563 ' CE ' HG21 ' A' ' 137' ' ' THR . 0.0 OUTLIER -140.49 95.48 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.466 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 62.5 m-20 -49.86 174.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.554 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 24.1 m -63.82 -11.48 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.1 -6.26 59.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.57 ' HA3' ' CE3' ' A' ' 121' ' ' TRP . . . 68.51 22.15 74.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.41 HD12 HH11 ' A' ' 133' ' ' ARG . 5.2 tt -101.29 105.92 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.853 HD21 HG23 ' A' ' 123' ' ' VAL . 10.8 mp -41.61 123.96 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.466 ' CZ ' ' OD1' ' A' ' 82' ' ' ASP . 3.1 p90 -150.29 158.28 43.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -90.86 146.37 18.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.19 126.57 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.88 4.24 17.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' A' ' 92' ' ' THR . 10.1 p -114.38 94.41 35.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.534 1.807 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 96' ' ' GLU . 3.4 m120 -154.57 -156.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 66.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' ASN . 48.5 tt0 -176.06 -51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 78' ' ' TYR . 4.8 t -67.77 -39.16 84.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 108.262 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.945 HD22 ' HB2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -47.34 172.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.47 118.1 5.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.592 HD13 ' HB1' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -61.5 101.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 1.2 tm-20 -112.73 150.86 30.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.661 HH21 HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -147.41 -90.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.6 120.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.747 ' OE2' HD21 ' A' ' 145' ' ' LEU . 4.0 tm-20 -97.53 -41.46 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.7 tt0 -130.07 -104.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.572 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.1 t-20 -158.94 50.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.4 m80 179.84 -62.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.727 ' CE2' HD23 ' A' ' 145' ' ' LEU . 29.7 m-85 -54.1 -167.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.42 ' ND2' ' OE2' ' A' ' 101' ' ' GLU . 25.6 m120 -158.65 54.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.498 ' CG2' HG13 ' A' ' 144' ' ' ILE . 65.8 p -47.2 100.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.571 ' OH ' HD22 ' A' ' 60' ' ' LEU . 8.9 m-85 -80.81 -173.0 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.929 HD11 ' CZ ' ' A' ' 122' ' ' PHE . 5.0 mt -159.38 114.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 112' ' ' ILE . 2.6 p -34.18 98.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' ILE . 13.7 tttm -56.13 -17.41 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -11.83 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.685 ' ND1' ' CZ3' ' A' ' 121' ' ' TRP . 0.9 OUTLIER -145.11 37.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.592 ' HB1' HD13 ' A' ' 100' ' ' LEU . . . -71.46 -19.53 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.49 -27.54 67.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -103.83 1.02 31.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 59.5 33.88 22.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.685 ' CZ3' ' ND1' ' A' ' 116' ' ' HIS . 28.7 m0 -67.42 73.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 107.965 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.929 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 14.0 m-85 -50.27 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.853 HG23 HD21 ' A' ' 87' ' ' LEU . 11.3 p -126.67 96.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.404 ' C ' ' HB1' ' A' ' 143' ' ' ALA . . . -161.94 126.78 1.62 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 1.025 HD21 HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.12 120.76 21.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.44 123.47 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.1 60.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 126' ' ' LYS . 10.0 m120 -156.61 -43.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.554 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 138.94 70.83 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.38 139.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 51.6 t -86.93 156.23 19.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -109.72 158.01 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.41 HH11 HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -138.37 117.51 12.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.558 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 93.91 -142.43 16.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.455 ' HA ' ' NE1' ' A' ' 121' ' ' TRP . 18.2 Cg_endo -75.0 69.69 5.49 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.474 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 1.2 mpt_? -158.34 25.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.563 HG21 ' CE ' ' A' ' 81' ' ' MET . 2.6 t -141.75 77.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 139' ' ' TYR . 17.6 m80 -125.18 -179.28 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.598 ' CD2' ' O62' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -54.01 -164.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 111.055 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.405 ' C ' ' H5 ' ' A' ' 178' ' ' NTS . . . 61.7 9.68 20.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.493 ' C ' ' N ' ' A' ' 143' ' ' ALA . 38.4 mt-30 -133.95 102.74 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.738 ' HA ' HD13 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -49.71 -14.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.493 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -50.45 -31.23 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.498 HG13 ' CG2' ' A' ' 110' ' ' THR . 4.3 pt -77.52 -29.69 16.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.747 HD21 ' OE2' ' A' ' 104' ' ' GLU . 7.9 mp -67.78 101.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.72 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 8.0 m-85 -111.69 119.59 39.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.527 HD22 ' HD2' ' A' ' 148' ' ' PRO . 0.6 OUTLIER -106.42 102.32 40.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.527 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.2 Cg_endo -75.0 132.25 15.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 149' ' ' LEU . 2.9 pp -125.24 74.07 67.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.896 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.98 169.13 23.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -176.01 41.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 13.6 t -61.3 81.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 151' ' ' VAL . 41.5 t -119.93 69.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.598 ' O62' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -56.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.68 145.97 8.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' A' ' 149' ' ' LEU . 0.9 OUTLIER -148.42 122.14 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 1.1 mt -70.17 154.44 41.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.59 1.181 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.477 ' HB2' ' CD2' ' A' ' 149' ' ' LEU . 20.7 t80 -142.83 124.73 15.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 145' ' ' LEU . 0.1 OUTLIER -70.71 142.75 51.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.334 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 28.2 t -58.27 -93.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.477 ' HB2' ' CD ' ' A' ' 142' ' ' LYS . 0.9 OUTLIER -69.89 -52.38 25.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.357 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -35.89 -40.45 0.35 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.93 9.88 54.44 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 5.1 m80 -89.63 162.29 15.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 87.6 m-85 -127.7 105.37 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -41.29 141.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.522 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 2.5 ptp180 -139.96 147.26 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.596 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -132.02 149.76 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -109.32 145.65 32.29 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 2.69 6.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.57 -48.13 7.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.38 46.86 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.535 ' CG2' HD23 ' A' ' 40' ' ' LEU . 1.4 m -142.65 168.64 19.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG13 HG12 ' A' ' 39' ' ' ILE . 1.6 t -146.4 166.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 178.66 -170.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.842 ' HA3' HD22 ' A' ' 125' ' ' LEU . . . -129.89 160.24 22.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.507 HG21 HH21 ' A' ' 38' ' ' ARG . 24.9 m -140.64 122.66 15.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -51.51 -20.72 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -151.43 127.56 10.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 2.3 ptt180 -55.7 111.6 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 t 179.96 69.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.522 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.7 t0 -137.7 -173.14 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -52.74 -45.16 66.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.55 ' CD2' ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -175.82 96.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.626 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -99.19 11.18 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -57.35 134.89 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -131.97 175.87 8.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 1.8 tt0 -178.75 131.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.574 HD21 ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -90.94 160.82 15.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ALA . 9.1 t -145.16 55.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.22 125.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.823 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -117.25 -0.77 11.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 160.33 131.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.2 137.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.541 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 80.68 -7.5 58.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.87 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.9 tt0 -150.69 104.33 3.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.903 ' O ' HD23 ' A' ' 98' ' ' LEU . 33.2 m -124.36 165.32 21.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 9.1 m-85 -116.82 167.62 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.791 HD12 ' HD2' ' A' ' 99' ' ' PHE . 98.2 mt -143.91 126.72 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.648 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.7 OUTLIER -130.25 123.49 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.648 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 17.4 t -70.96 64.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 73' ' ' THR . 7.6 t -34.56 101.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.55 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 6.2 tp10 174.22 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -48.43 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.73 60.08 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -119.19 122.18 41.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 60.8 m-85 -100.09 112.29 24.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.522 HD13 ' H ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -46.82 157.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.685 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -178.44 170.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.492 ' HE2' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -137.76 124.15 20.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -79.19 176.25 9.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.521 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 21.0 m -58.17 -16.13 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.98 11.04 21.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.406 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 50.35 30.15 17.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 tt -104.88 112.05 25.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.492 HD12 ' HE2' ' A' ' 81' ' ' MET . 9.5 mp -42.14 128.52 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.464 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.3 p90 -152.06 149.91 29.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.23 144.38 16.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.81 160.28 41.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.045 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.86 38.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 68.0 p -145.96 92.9 5.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 97' ' ' CYS . 18.2 Cg_endo -75.05 89.07 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -128.16 -175.85 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.19 -34.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' OE2' ' OH ' ' A' ' 88' ' ' TYR . 18.1 tt0 -65.8 -61.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.685 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 18.0 m -49.43 -34.72 17.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.903 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.4 OUTLIER -55.89 171.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.791 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -149.92 101.18 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.774 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -49.59 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.08 145.16 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.422 ' NH2' ' CZ ' ' A' ' 122' ' ' PHE . 71.5 mtm180 -135.73 -100.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.53 122.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.608 ' HG2' HD11 ' A' ' 145' ' ' LEU . 3.7 tp10 -100.54 -46.68 5.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.447 ' CG ' ' HG3' ' A' ' 104' ' ' GLU . 1.9 mt-10 -121.43 -117.04 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.567 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 19.0 t30 -153.43 52.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 5.0 m-70 -170.78 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 6.5 m-85 -70.61 -158.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.617 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 10.8 m120 -164.21 57.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 p -39.56 153.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -135.42 179.65 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.715 HD12 ' CE1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -154.91 133.14 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.577 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 6.5 t -40.2 100.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.774 ' HG2' HD12 ' A' ' 100' ' ' LEU . 3.5 tmtm? -64.81 -24.61 67.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.559 ' HE3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -67.64 -26.91 66.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.577 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -160.3 66.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.647 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.98 -1.23 24.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.59 -4.16 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -119.49 2.4 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.573 ' CA ' HD11 ' A' ' 112' ' ' ILE . 0.7 OUTLIER 57.13 37.0 28.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.904 ' HA ' HG23 ' A' ' 137' ' ' THR . 38.5 m0 -69.93 77.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.715 ' CE1' HD12 ' A' ' 112' ' ' ILE . 11.5 m-85 -61.19 179.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' ' 123' ' ' VAL . 8.3 p -120.03 100.17 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 144' ' ' ILE . . . -161.0 138.52 5.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.842 HD22 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -95.56 115.02 26.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 125' ' ' LEU . 6.2 tttt -24.6 125.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -64.76 60.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -155.58 -41.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.27 74.14 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 t 169.5 132.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 110.025 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.24 168.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -112.64 174.86 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.158 . . . . 0.0 109.249 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 134' ' ' GLY . 1.7 mmm180 -118.99 153.88 33.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.811 ' O ' HG22 ' A' ' 137' ' ' THR . . . -35.23 -64.03 0.51 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.98 51.67 2.84 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 168.63 41.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.904 HG23 ' HA ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -136.51 67.04 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.368 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' GLY . 5.8 m80 -125.96 152.51 45.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.626 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.737 ' O ' ' CD2' ' A' ' 139' ' ' TYR . 40.4 p90 -59.84 80.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 138' ' ' HIS . . . -119.46 -34.32 1.02 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.448 ' C ' ' H5 ' ' A' ' 178' ' ' NTS . 2.2 mp0 -121.92 172.97 7.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.601 ' HG3' HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -83.77 46.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.72 ' HB1' ' O ' ' A' ' 125' ' ' LEU . . . -106.79 -16.88 14.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 139' ' ' TYR . 32.0 pt -95.07 -26.99 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.674 HD13 ' O61' ' A' ' 178' ' ' NTS . 1.4 mp -58.53 92.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.483 ' CE2' ' O ' ' A' ' 123' ' ' VAL . 14.1 m-85 -107.42 119.07 38.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.661 HD23 ' N ' ' A' ' 148' ' ' PRO . 4.5 tt -111.35 124.01 33.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.661 ' N ' HD23 ' A' ' 147' ' ' LEU . 18.4 Cg_endo -74.95 131.46 14.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -130.24 64.33 72.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.722 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 165.04 32.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.454 1.766 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 150' ' ' PRO . 6.3 m -160.54 44.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 151' ' ' VAL . 5.4 t -39.47 103.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 48.3 t 179.78 72.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.674 ' O61' HD13 ' A' ' 145' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 1.9 mttt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -74.99 -0.16 9.62 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HE3' ' CA ' ' A' ' 27' ' ' LEU . 1.1 tptt -179.87 140.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.636 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -175.23 139.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.024 HD21 ' HB3' ' A' ' 146' ' ' PHE . 1.8 tt -96.47 160.38 14.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.797 ' H ' HD23 ' A' ' 28' ' ' LEU . 51.2 t80 -153.89 151.94 30.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.463 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 2.9 m -103.77 149.87 24.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 108' ' ' TYR . 1.4 p -64.5 -97.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.534 ' HB2' ' CG ' ' A' ' 142' ' ' LYS . 2.4 t30 -54.89 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.09 -36.4 0.86 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.549 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 62.68 10.25 30.05 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 7.4 m80 -80.89 163.03 23.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.73 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CD1' ' HA ' ' A' ' 50' ' ' ASP . 17.6 m-85 -127.36 91.34 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.789 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -33.52 146.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.615 HH21 HG21 ' A' ' 48' ' ' THR . 10.7 ptp180 -138.76 153.05 48.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.793 HD11 HD13 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -130.34 114.47 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.621 HD12 HG22 ' A' ' 44' ' ' THR . 0.5 OUTLIER -90.72 138.89 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.96 9.35 2.04 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -29.57 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.52 15.59 5.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.621 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -118.38 130.91 56.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.378 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.508 HG11 HD11 ' A' ' 79' ' ' LEU . 1.8 t -112.98 165.77 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 170.08 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.668 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -125.92 169.24 17.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.615 HG21 HH21 ' A' ' 38' ' ' ARG . 20.9 m -145.58 124.52 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.497 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -39.6 -32.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.597 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 2.4 m-20 -160.11 118.88 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -31.03 93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -122.2 33.67 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.582 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -135.41 174.83 10.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.47 -30.29 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.528 ' CD2' ' H ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -118.97 82.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.609 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.582 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -130.39 18.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -79.04 162.98 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -148.14 177.16 9.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.865 ' O ' HG23 ' A' ' 70' ' ' ILE . 7.5 tp-100 -170.5 147.78 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.743 HD23 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -119.56 158.69 25.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.0 t -143.89 53.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.503 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -39.84 126.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.74 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -118.44 0.22 11.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 159.67 126.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.413 HG22 ' H ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -39.63 142.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.67 4.49 81.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.888 ' OE2' HD13 ' A' ' 98' ' ' LEU . 4.3 tt0 -168.35 106.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.731 ' C ' HD23 ' A' ' 98' ' ' LEU . 29.7 m -126.76 164.17 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.45 ' CB ' ' HB3' ' A' ' 61' ' ' SER . 12.7 m-85 -109.81 168.82 9.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 59' ' ' GLN . 17.8 mt -147.34 126.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -112.18 133.9 54.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.601 ' HB2' HD13 ' A' ' 39' ' ' ILE . 5.9 t -71.96 70.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -45.09 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 73' ' ' THR . 0.7 OUTLIER 159.68 -38.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.477 HG21 ' HB3' ' A' ' 41' ' ' PRO . 25.3 p -119.28 -124.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -145.43 16.17 1.86 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.493 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -101.55 -161.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 49.0 m-85 -151.17 174.56 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.793 HD13 HD11 ' A' ' 39' ' ' ILE . 7.3 tp -92.52 161.78 14.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.484 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . . . -177.21 -175.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 2.3 ttt -147.94 94.44 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.527 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 40.0 m-20 -52.64 168.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.404 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 2.8 m -58.95 -16.6 18.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -81.08 3.07 24.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.508 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 59.91 16.55 39.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -97.74 109.07 21.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 0.811 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.012 HD21 HG23 ' A' ' 123' ' ' VAL . 4.2 mp -38.85 119.35 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.527 ' CG ' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -144.03 165.24 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.04 156.5 15.9 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.07 156.65 40.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -90.37 29.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.3 p -134.13 88.67 30.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 99.67 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.6 m120 -156.32 -152.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -66.36 69.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 94' ' ' ASN . 27.8 tt0 -177.94 -43.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 5.1 t -76.71 -26.73 55.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.888 HD13 ' OE2' ' A' ' 67' ' ' GLU . 0.5 OUTLIER -59.55 172.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.4 105.07 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.742 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -46.31 98.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 8.6 tt0 -79.42 161.61 26.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.74 78.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' A' ' 106' ' ' ASN . 19.3 tp -31.43 95.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.687 ' CD ' HD21 ' A' ' 145' ' ' LEU . 1.7 tm-20 -51.8 -40.44 60.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.8 tt0 -130.11 -107.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.81 ' HA ' HD21 ' A' ' 103' ' ' LEU . 4.4 t30 -139.98 40.51 1.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.754 ' N ' HD11 ' A' ' 103' ' ' LEU . 1.8 m-70 -178.29 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.62 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 15.2 m-85 -54.17 129.24 34.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.623 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 14.1 m-20 -105.32 85.02 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.773 ' CG2' HD23 ' A' ' 145' ' ' LEU . 69.5 p -75.18 94.85 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.743 ' OH ' HD23 ' A' ' 60' ' ' LEU . 17.1 m-85 -78.62 -172.84 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -165.7 123.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.488 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 59.5 p -34.57 99.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.742 ' HG2' HD12 ' A' ' 100' ' ' LEU . 4.7 tmtm? -64.37 -22.62 67.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -71.3 -6.72 41.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 113' ' ' SER . 0.2 OUTLIER 179.85 67.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.479 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -85.23 -2.35 57.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -68.18 -17.66 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 6.5 mttt -101.85 -1.77 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 69.08 20.59 7.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 35.2 m0 -60.21 107.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 112' ' ' ILE . 16.1 m-85 -89.02 -176.27 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 1.012 HG23 HD21 ' A' ' 87' ' ' LEU . 6.3 p -117.83 12.65 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.534 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -82.72 107.23 2.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.789 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -62.12 119.46 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.628 ' O ' ' N ' ' A' ' 128' ' ' ASN . 30.6 tttt -24.47 118.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.26 61.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.628 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -143.1 -45.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 125.76 68.07 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 168.73 128.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 110.041 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.7 t -41.52 158.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 108.33 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.453 ' HE3' ' CD ' ' A' ' 136' ' ' ARG . 32.5 tptt -129.11 160.29 33.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.425 ' NE ' ' HG2' ' A' ' 135' ' ' PRO . 10.2 ptm180 -95.5 156.11 16.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -39.56 -55.59 2.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.425 ' HG2' ' NE ' ' A' ' 133' ' ' ARG . 18.3 Cg_endo -75.04 63.17 6.01 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.453 ' CD ' ' HE3' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 169.65 39.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.448 ' OG1' ' HA ' ' A' ' 121' ' ' TRP . 4.4 p -145.25 92.65 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.6 OUTLIER -139.8 172.25 13.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.618 ' CE2' ' O61' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -52.0 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.493 ' N ' ' O62' ' A' ' 178' ' ' NTS . . . 69.09 0.81 22.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.493 ' C ' ' N ' ' A' ' 143' ' ' ALA . 0.1 OUTLIER -126.89 105.37 8.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 32' ' ' ASN . 4.2 mttt -51.09 -14.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.578 ' O ' ' CE1' ' A' ' 146' ' ' PHE . . . -48.04 -38.99 18.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.539 HD12 ' CE1' ' A' ' 122' ' ' PHE . 3.9 pt -71.74 -29.9 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.773 HD23 ' CG2' ' A' ' 110' ' ' THR . 68.2 mt -68.8 105.0 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 1.024 ' HB3' HD21 ' A' ' 28' ' ' LEU . 14.0 m-85 -116.17 124.46 50.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.728 ' O ' HD23 ' A' ' 149' ' ' LEU . 1.1 tm? -106.61 102.29 40.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.517 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.4 Cg_endo -75.01 131.36 14.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.2 OUTLIER -129.74 68.9 81.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.844 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 164.99 32.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -170.62 36.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.5 t -39.65 98.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.4 t -172.02 72.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.618 ' O61' ' CE2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.481 ' O ' HG22 ' A' ' 151' ' ' VAL . 18.6 Cg_endo -74.92 -34.36 3.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' CE ' ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -115.89 144.92 43.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -158.55 123.88 4.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.857 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -93.85 163.74 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.81 ' H ' HD23 ' A' ' 28' ' ' LEU . 12.8 t80 -154.91 153.1 30.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.647 ' SG ' HD13 ' A' ' 125' ' ' LEU . 34.2 m -88.46 153.0 21.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.63 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -57.08 -161.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.63 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.8 OUTLIER -36.06 148.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 29.02 54.63 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' HA3' ' CB ' ' A' ' 30' ' ' CYS . . . -121.39 161.02 15.6 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.646 ' CD2' ' N ' ' A' ' 49' ' ' ARG . 2.6 m80 -94.39 -178.69 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.562 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.605 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 35.6 m-85 -115.23 98.06 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.862 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -38.74 152.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.459 ' HD3' ' CA ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -141.06 149.05 41.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.837 HD11 HD13 ' A' ' 79' ' ' LEU . 1.1 tp -123.56 112.88 35.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.863 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -91.03 141.25 26.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.03 7.5 2.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -92.66 -30.53 15.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.2 28.31 2.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.863 ' HB ' HD12 ' A' ' 40' ' ' LEU . 4.4 m -124.55 158.33 33.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 110.427 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 46' ' ' ASP . 2.2 t -129.19 169.65 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 174.02 -170.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.459 ' CA ' ' HD3' ' A' ' 38' ' ' ARG . . . -141.28 155.69 25.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.457 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 6.3 m -135.75 125.45 25.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.646 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -34.64 -46.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' SER . 58.2 m-20 -142.44 122.15 13.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.605 ' CD ' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -33.79 96.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' ASP . 3.8 t -143.25 50.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.976 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.523 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -123.8 -170.97 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.14 -39.27 23.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.27 99.38 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.523 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -114.3 20.52 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -71.39 129.07 37.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.304 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -130.54 132.31 45.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.781 ' OE1' HD12 ' A' ' 60' ' ' LEU . 8.4 tp-100 -120.13 154.47 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.817 HD12 ' H ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -118.8 165.31 14.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 6.7 t -145.26 51.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.26 125.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.629 ' HG2' HD21 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -114.0 -3.93 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.07 140.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.52 138.15 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 78.29 1.49 81.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.682 ' HG2' HD22 ' A' ' 98' ' ' LEU . 2.1 tt0 -157.49 104.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.948 ' O ' HD23 ' A' ' 98' ' ' LEU . 7.4 m -126.94 162.51 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.536 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 11.5 m-85 -119.27 163.43 17.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 59' ' ' GLN . 13.1 mt -145.58 124.74 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -129.14 128.94 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.501 ' CB ' HG21 ' A' ' 39' ' ' ILE . 1.9 t -62.05 93.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.543 HG23 ' CB ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -52.8 89.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 73' ' ' THR . 2.1 tp10 160.62 -60.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 74' ' ' GLU . 7.7 p -99.52 -135.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -142.96 61.95 0.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.18 132.03 45.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 93' ' ' PRO . 65.8 m-85 -106.73 112.43 25.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.837 HD13 HD11 ' A' ' 39' ' ' ILE . 4.8 tp -42.36 160.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.639 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -177.89 178.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.453 ' CB ' ' HB3' ' A' ' 113' ' ' SER . 0.0 OUTLIER -140.34 103.78 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.43 ' OD2' ' CG ' ' A' ' 88' ' ' TYR . 36.8 m-20 -61.09 171.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -64.67 -14.53 58.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -5.92 44.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.479 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 73.22 17.48 78.81 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 87' ' ' LEU . 1.9 tt -110.89 127.6 55.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.932 HD21 HG23 ' A' ' 123' ' ' VAL . 7.2 mp -55.41 136.95 49.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -160.16 150.8 18.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -101.74 154.18 18.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.72 153.78 41.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -78.78 2.64 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.0 p -115.72 94.28 40.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.511 ' HB3' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.98 88.48 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' CYS . 5.7 m120 -127.55 -175.15 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.45 -39.36 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.473 ' CG ' ' HG3' ' A' ' 115' ' ' LYS . 47.3 tt0 -61.69 -50.81 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.639 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 16.8 m -64.9 -24.25 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.948 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.3 mt -67.26 173.06 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.596 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -150.66 124.93 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -66.77 104.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.576 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 0.9 OUTLIER -110.61 146.8 35.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.6 -94.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.517 ' HA ' HD23 ' A' ' 103' ' ' LEU . 0.0 OUTLIER 178.38 117.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.755 ' CD ' HD22 ' A' ' 145' ' ' LEU . 3.4 tm-20 -96.71 -35.52 10.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 1.3 mm-40 -130.34 -100.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.56 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 6.2 m120 -170.23 40.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 19.3 m-70 -166.48 -61.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.621 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.587 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 11.1 m-85 -65.02 -164.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.629 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 8.8 m120 -158.16 82.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.551 ' CG2' HG13 ' A' ' 144' ' ' ILE . 70.1 p -72.14 99.08 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 6.2 m-85 -81.09 -175.54 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.3 mt -156.27 131.79 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 81' ' ' MET . 1.6 p -49.87 91.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 100' ' ' LEU . 9.8 tttm -50.39 -42.12 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.473 ' HG3' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -45.55 -26.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 81' ' ' MET . 0.2 OUTLIER -166.25 75.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.586 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.428 ' CB ' HG22 ' A' ' 112' ' ' ILE . . . -91.39 -0.08 57.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -64.72 -20.48 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.3 OUTLIER -105.06 3.9 30.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' PHE . 1.0 OUTLIER 64.75 19.03 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.0 m0 -53.97 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.71 ' CE2' HD12 ' A' ' 144' ' ' ILE . 10.6 m-85 -69.63 -170.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.932 HG23 HD21 ' A' ' 87' ' ' LEU . 4.0 p -124.24 44.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.649 ' C ' HD12 ' A' ' 125' ' ' LEU . . . -95.39 -173.2 36.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.835 HD21 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -151.88 121.67 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.3 tttt -36.89 125.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.512 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.09 59.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 126' ' ' LYS . 14.2 m120 -144.76 -43.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.558 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 137.82 61.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.0 m -179.46 140.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 110.022 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.488 ' SG ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -58.69 168.58 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.317 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.799 ' HB3' HG23 ' A' ' 137' ' ' THR . 1.5 mttt -102.68 131.35 49.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -79.95 153.92 28.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.619 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -37.02 -62.7 0.82 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.04 53.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.56 40.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -128.76 55.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.412 ' O ' ' O62' ' A' ' 178' ' ' NTS . 1.1 m80 -122.87 141.72 51.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.748 ' HB2' HD11 ' A' ' 144' ' ' ILE . 8.0 p90 -68.99 -166.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.505 ' N ' ' CD2' ' A' ' 139' ' ' TYR . . . 155.53 -46.47 0.52 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.525 ' HB3' ' C4 ' ' A' ' 178' ' ' NTS . 1.9 mp0 -111.86 -74.91 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.509 ' CB ' HD11 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 169.46 58.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.561 ' CB ' ' C5 ' ' A' ' 178' ' ' NTS . . . -114.62 19.22 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 139' ' ' TYR . 1.0 OUTLIER -127.63 -25.17 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.755 HD22 ' CD ' ' A' ' 104' ' ' GLU . 0.2 OUTLIER -57.69 100.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.862 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 4.4 m-85 -89.04 121.23 31.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -102.36 105.52 43.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.01 130.37 13.2 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.494 HD11 HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -134.31 62.98 58.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.666 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.02 164.96 32.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.797 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 150' ' ' PRO . 14.4 m -159.5 58.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 23.0 t -62.11 80.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 151' ' ' VAL . 33.6 t -128.69 58.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.561 ' C5 ' ' CB ' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 54.71 3.71 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 3.0 tptt -148.74 138.64 22.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 149' ' ' LEU . 0.3 OUTLIER -167.68 123.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.5 OUTLIER -76.82 148.43 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.586 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 6.5 t80 -136.84 141.62 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.586 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 4.2 m -75.83 144.51 41.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.856 ' HB3' HD23 ' A' ' 145' ' ' LEU . 1.9 t -68.9 -73.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.05 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.552 ' HB3' ' HG2' ' A' ' 142' ' ' LYS . 3.2 m-80 -100.75 -18.75 16.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.497 ' N ' ' CB ' ' A' ' 142' ' ' LYS . . . -61.67 -40.21 98.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' ARG . . . 77.52 -6.88 42.99 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 24.2 m80 -83.69 167.62 17.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 83.9 m-85 -134.2 95.99 3.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.939 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -34.24 148.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.519 ' NH2' HG21 ' A' ' 48' ' ' THR . 4.5 ptp180 -146.48 145.27 30.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.596 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.8 OUTLIER -125.86 119.84 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.698 HD12 HG22 ' A' ' 44' ' ' THR . 0.8 OUTLIER -86.61 142.59 34.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HA ' ' NE2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.98 8.47 2.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.85 -27.53 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.87 11.88 6.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.698 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -118.82 132.15 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 110.388 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.5 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.2 164.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.597 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 178.83 -176.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.959 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -120.24 179.96 16.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.519 HG21 ' NH2' ' A' ' 38' ' ' ARG . 57.5 m -156.84 123.76 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 34' ' ' GLY . 56.9 ttt-85 -45.43 -25.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -150.93 127.86 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -55.48 113.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -179.85 68.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.518 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 6.4 t0 -137.3 -172.48 3.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -54.84 -44.69 74.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.557 ' CG ' ' CD ' ' A' ' 74' ' ' GLU . 1.8 m-70 -173.87 98.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.633 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.443 ' C ' HD13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -101.34 11.33 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.415 ' OE1' ' ND1' ' A' ' 55' ' ' HIS . 3.6 mp0 -55.0 130.55 42.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.56 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.1 mt -127.45 179.23 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.547 ' O ' HG23 ' A' ' 70' ' ' ILE . 3.1 tp-100 -179.59 148.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.463 HD13 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -116.07 158.76 22.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.3 t -142.83 54.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -37.74 131.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -128.39 1.23 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.515 ' O ' ' O ' ' A' ' 67' ' ' GLU . 1.3 m 157.62 120.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -36.16 150.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.483 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 66.87 10.52 55.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.734 ' HG2' HD12 ' A' ' 98' ' ' LEU . 3.9 tt0 -175.35 104.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.288 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.875 ' O ' HD13 ' A' ' 98' ' ' LEU . 35.3 m -127.74 170.81 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.816 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 10.7 m-85 -109.33 171.18 7.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.601 HD12 ' HD2' ' A' ' 99' ' ' PHE . 18.1 mt -154.3 127.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.646 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -129.76 113.91 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.646 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 1.4 t -65.45 81.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -35.18 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.557 ' CD ' ' CG ' ' A' ' 55' ' ' HIS . 2.4 mm-40 175.74 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -113.76 59.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.41 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 34.08 35.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.491 ' OE1' HG23 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -87.37 105.27 17.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.27 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.476 ' O ' ' CA ' ' A' ' 89' ' ' GLY . 59.4 m-85 -84.81 148.54 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.566 ' CD2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -85.22 142.08 29.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -163.29 178.28 8.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.84 ' HG3' HD12 ' A' ' 87' ' ' LEU . 1.5 ttt -145.74 107.93 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.564 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 61.9 m-20 -65.21 173.65 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.405 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 16.3 m -60.08 -16.43 31.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.88 7.03 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.481 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 55.95 17.49 16.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.11 106.39 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.84 HD12 ' HG3' ' A' ' 81' ' ' MET . 2.6 mp -39.01 135.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.564 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -165.83 165.14 18.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.33 160.66 14.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.06 163.59 33.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -88.44 38.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.4 p -136.75 89.39 17.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.367 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -158.59 -164.05 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.49 -40.4 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.408 ' CD ' ' HH ' ' A' ' 88' ' ' TYR . 10.0 tt0 -59.65 -68.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 6.2 t -54.06 -41.9 68.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 108.267 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.875 HD13 ' O ' ' A' ' 68' ' ' VAL . 2.6 mm? -48.13 166.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.601 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -150.17 99.6 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.679 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -39.86 99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.656 ' HB2' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -95.17 161.77 13.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.785 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -179.53 91.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -20.21 102.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.5 ' OE1' ' CG ' ' A' ' 105' ' ' GLU . 3.0 tm-20 -66.93 -39.77 87.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.5 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 0.6 OUTLIER -130.12 -97.17 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 2.9 t-20 -164.94 49.31 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 2.1 m-70 -176.02 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.556 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.72 ' CD2' HD11 ' A' ' 145' ' ' LEU . 3.4 m-85 -68.88 -160.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.535 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 24.5 m120 -167.29 40.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 144' ' ' ILE . 31.8 p -42.78 153.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.663 ' CD1' ' N ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -135.18 -178.57 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.161 HD11 ' CE1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -150.97 125.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.561 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 8.1 t -30.97 101.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.679 ' HG2' HD12 ' A' ' 100' ' ' LEU . 2.0 tmtm? -68.52 -28.98 67.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.93 -11.38 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.561 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -177.05 63.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 112' ' ' ILE . . . -78.14 -7.31 56.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.68 -14.66 14.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.3 OUTLIER -111.1 5.53 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 122' ' ' PHE . 29.3 m120 55.95 34.96 24.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.61 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.1 m0 -66.22 77.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 1.161 ' CE1' HD11 ' A' ' 112' ' ' ILE . 2.3 m-85 -56.31 165.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.583 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 4.2 p -107.9 82.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -153.38 127.39 2.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.959 HD22 ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.3 125.67 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 0.726 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.613 ' C ' ' O ' ' A' ' 125' ' ' LEU . 27.9 tttt -22.13 124.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.525 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.12 59.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 126' ' ' LYS . 3.1 t-20 -151.37 -46.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.481 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 139.83 63.62 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 168.92 128.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.42 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.6 tptt -150.75 148.48 28.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 134' ' ' GLY . 44.2 ttt180 -69.12 158.09 35.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.78 -57.18 1.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.99 59.17 5.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 173.12 39.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.579 HG21 ' HE1' ' A' ' 81' ' ' MET . 8.0 t -154.78 98.93 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -140.24 -147.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.509 ' O ' ' N ' ' A' ' 141' ' ' GLN . 0.1 OUTLIER -67.71 -160.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.687 ' CA ' ' H5 ' ' A' ' 178' ' ' NTS . . . 38.0 26.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.656 ' O ' ' N ' ' A' ' 143' ' ' ALA . 0.0 OUTLIER -119.17 80.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 110.28 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.552 ' HG2' ' HB3' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -35.36 -25.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.76 ' HB1' ' N ' ' A' ' 125' ' ' LEU . . . -57.74 -34.68 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 141' ' ' GLN . 19.8 pt -72.97 -32.45 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.856 HD23 ' HB3' ' A' ' 31' ' ' SER . 5.5 tp -68.77 78.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.93 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 9.5 m-85 -94.66 129.45 41.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -120.39 128.74 25.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.561 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.2 Cg_endo -75.0 128.08 11.2 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -130.15 55.07 16.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.81 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 -168.39 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.796 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.81 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -173.7 39.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.6 82.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 151' ' ' VAL . 0.5 OUTLIER -127.22 74.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.687 ' H5 ' ' CA ' ' A' ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' CB ' ' NE2' ' A' ' 57' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.651 ' HB2' HG23 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.93 76.34 3.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.528 1.804 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -167.78 125.42 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -162.11 144.24 11.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.07 152.78 19.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 38.6 t80 -135.0 150.26 50.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 143' ' ' ALA . 0.5 OUTLIER -110.2 145.94 36.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.279 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 t -59.91 -86.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.494 ' CB ' ' HB2' ' A' ' 142' ' ' LYS . 5.7 t-20 -73.93 134.56 43.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.66 -25.17 14.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.614 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 59.36 21.39 53.84 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.496 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 80.4 m80 -57.27 154.12 10.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 34' ' ' GLY . 71.4 m-85 -132.34 96.43 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.842 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -37.37 154.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -144.9 162.21 37.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.791 HD11 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -130.85 108.97 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -86.0 141.72 35.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.1 Cg_endo -75.03 9.91 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.571 1.827 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 40' ' ' LEU . 1.4 t70 -95.39 -30.24 14.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.71 19.74 5.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.632 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -121.11 131.76 54.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.539 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.61 166.48 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.658 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 175.06 -170.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.729 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -130.49 153.32 20.14 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -128.82 126.88 40.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.374 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 34' ' ' GLY . 1.9 tmt_? -37.94 -47.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -139.89 112.49 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -31.5 115.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -172.57 64.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.062 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.456 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 3.7 t0 -134.8 -174.88 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.476 ' NE2' ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -66.22 -18.56 65.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.614 ' CD2' ' HG3' ' A' ' 74' ' ' GLU . 0.3 OUTLIER 174.15 111.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.553 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.875 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.72 14.76 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.442 ' NE2' ' CB ' ' A' ' 24' ' ' LYS . 77.4 mt-30 -60.04 148.56 35.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.3 mp -147.38 175.84 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -173.95 142.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.96 160.26 16.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 6.5 t -143.36 51.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.68 124.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.611 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -115.49 -0.42 13.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 165.6 175.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 65' ' ' VAL . 3.9 m -72.42 152.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 49.66 24.64 5.98 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.896 ' OE2' HD13 ' A' ' 98' ' ' LEU . 4.1 tt0 -169.12 107.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.781 ' O ' HD23 ' A' ' 98' ' ' LEU . 5.2 m -133.34 161.8 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.5 ' CE2' ' SG ' ' A' ' 97' ' ' CYS . 17.2 m-85 -111.81 164.05 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 59' ' ' GLN . 27.3 mt -146.23 131.15 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -137.93 104.57 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.519 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 2.3 t -61.94 79.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 73' ' ' THR . 15.0 t -49.76 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.614 ' HG3' ' CD2' ' A' ' 55' ' ' HIS . 3.2 mm-40 164.03 -46.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -105.57 -27.15 11.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.87 35.01 13.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -112.06 119.29 37.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 110.266 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CD1' ' HB3' ' A' ' 93' ' ' PRO . 49.3 m-85 -80.29 103.88 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.791 HD13 HD11 ' A' ' 39' ' ' ILE . 6.5 tp -38.73 145.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.683 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -166.52 -177.46 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.794 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -143.62 92.74 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.506 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 11.5 m-20 -44.14 166.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.706 HG23 ' HE2' ' A' ' 115' ' ' LYS . 1.1 p -61.16 -14.07 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.76 8.85 18.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.553 ' CA ' ' CE3' ' A' ' 121' ' ' TRP . . . 57.72 28.14 59.81 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' LEU . 2.1 tt -109.94 108.62 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.794 HD12 ' HG3' ' A' ' 81' ' ' MET . 5.1 mp -39.75 134.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.542 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -166.92 153.15 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.08 132.6 9.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 1.7 t -122.05 164.04 18.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -79.35 3.23 18.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 p -115.73 88.61 20.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HB3' ' CD1' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.02 104.63 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.447 ' N ' ' SG ' ' A' ' 97' ' ' CYS . 7.5 m120 -140.91 -174.51 4.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 94' ' ' ASN . 0.8 OUTLIER -35.89 -40.58 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.444 ' HB2' ' CD ' ' A' ' 115' ' ' LYS . 45.1 tt0 -61.5 -54.13 47.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.683 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 3.5 p -58.81 -38.85 79.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 108.318 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.896 HD13 ' OE2' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -50.47 174.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.3 120.98 6.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.587 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -61.46 98.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.582 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 6.5 tt0 -104.41 143.51 32.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.812 HH21 HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -144.53 -96.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.255 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 102' ' ' ARG . 1.9 tp 178.9 117.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.49 ' HG3' HD21 ' A' ' 145' ' ' LEU . 3.9 tm-20 -91.6 -43.95 9.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -130.05 -92.25 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.557 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 2.0 t-20 -179.12 58.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.557 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 14.1 m-70 179.97 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.548 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.24 -154.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.457 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 25.2 m-80 -168.23 66.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.496 ' CG2' HG13 ' A' ' 144' ' ' ILE . 76.8 p -55.6 99.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 101' ' ' GLU . 5.4 m-85 -81.3 -172.73 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.812 HD12 HH21 ' A' ' 102' ' ' ARG . 0.2 OUTLIER -163.46 119.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 81' ' ' MET . 6.8 t -35.03 101.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.574 ' HA ' HD12 ' A' ' 100' ' ' LEU . 17.3 tttm -57.46 -17.22 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.706 ' HE2' HG23 ' A' ' 83' ' ' THR . 0.0 OUTLIER -92.31 -3.33 55.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.735 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 1.3 m-70 -152.48 39.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.659 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.587 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -77.35 -1.2 28.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.49 -29.22 30.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 1.8 tttt -101.92 -0.04 34.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 65.45 28.61 11.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.735 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 34.3 m0 -64.55 78.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 112' ' ' ILE . 13.6 m-85 -54.21 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.701 HG23 HD21 ' A' ' 87' ' ' LEU . 5.1 p -122.9 17.8 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -88.91 107.58 3.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.842 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -61.31 118.8 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 128' ' ' ASN . 0.7 OUTLIER -22.77 116.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -62.7 61.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.638 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.8 OUTLIER -141.12 -43.81 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.496 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.74 58.48 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.68 114.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.969 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -41.7 156.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.1 mptt -121.21 167.77 12.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 135' ' ' PRO . 21.8 ptt180 -96.0 165.49 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.612 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -35.1 -56.58 0.86 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.487 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.0 55.73 4.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 176.94 37.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.52 92.02 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 139' ' ' TYR . 6.3 m80 -148.82 172.22 15.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.608 ' CE2' ' O62' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -54.8 -164.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.502 ' N ' ' O63' ' A' ' 178' ' ' NTS . . . 65.58 4.77 20.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.492 ' C ' ' N ' ' A' ' 143' ' ' ALA . 2.6 mt-30 -131.17 107.69 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.813 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.625 ' CB ' HD12 ' A' ' 145' ' ' LEU . 7.9 mttt -51.59 -13.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 125' ' ' LEU . . . -48.67 -32.9 9.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.582 HD12 ' CE2' ' A' ' 122' ' ' PHE . 3.5 pt -79.37 -29.02 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.625 HD12 ' CB ' ' A' ' 142' ' ' LYS . 40.5 mt -65.11 90.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 143' ' ' ALA . 13.2 m-85 -105.09 116.96 32.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.587 HD23 ' HD2' ' A' ' 148' ' ' PRO . 0.0 OUTLIER -103.35 109.67 62.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.587 ' HD2' HD23 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.03 129.86 12.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.546 1.814 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.5 pp -133.27 63.74 66.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.854 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 -168.9 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -178.64 41.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.5 t -46.42 108.79 0.15 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 30.6 t -142.95 78.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.608 ' O62' ' CE2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HB2' HG23 ' A' ' 151' ' ' VAL . 18.5 Cg_endo -74.96 100.13 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -176.77 146.71 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.94 ' HG ' HD11 ' A' ' 149' ' ' LEU . 0.2 OUTLIER -155.89 107.61 2.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.007 HD21 ' HB3' ' A' ' 146' ' ' PHE . 2.7 tt -65.85 157.48 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.828 ' H ' HD23 ' A' ' 28' ' ' LEU . 7.3 t80 -157.74 156.17 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.727 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 59.5 m -80.11 166.52 21.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.645 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 3.1 t -71.23 -117.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.728 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -50.22 132.58 24.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.665 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 4.51 61.64 0.0 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.728 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -103.99 -173.3 25.43 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 49' ' ' ARG . 2.8 m80 -92.05 -176.63 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 0.775 . . . . 0.0 109.6 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.632 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 57.1 m-85 -123.38 98.98 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.663 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 1.1 mt -29.9 141.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.533 ' HB2' HG22 ' A' ' 56' ' ' ILE . 1.6 ptp180 -145.52 157.22 44.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.815 HD12 HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -142.09 152.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.599 HD23 ' HB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -108.95 145.26 31.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 2.64 6.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.74 -53.47 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.04 45.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.599 ' HB ' HD23 ' A' ' 40' ' ' LEU . 1.7 m -142.48 169.41 17.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.429 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.815 HG13 HD12 ' A' ' 39' ' ' ILE . 1.4 t -144.67 164.58 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.667 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 174.29 -171.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.554 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -135.13 165.34 24.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.097 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.484 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 2.7 m -140.02 127.4 21.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.573 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -44.32 -33.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -144.48 115.36 7.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.594 ' NE ' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -35.98 122.25 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t 179.65 70.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.435 ' OD2' ' NE2' ' A' ' 54' ' ' GLN . 2.4 t0 -145.59 -178.23 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.483 ' NE2' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.98 -40.09 79.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 6.8 m-70 -172.99 105.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.571 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.541 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -111.2 31.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -79.83 123.45 27.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.655 HD13 ' HB3' ' A' ' 37' ' ' LEU . 4.9 mp -130.62 116.37 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -109.49 136.71 48.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.786 HD22 ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -96.39 162.36 13.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 7.1 t -143.02 50.2 1.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.414 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.38 128.74 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.586 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -119.41 -2.26 10.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.9 135.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.39 138.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' HA2' HD23 ' A' ' 100' ' ' LEU . . . 79.31 -3.56 66.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.839 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.6 tt0 -155.85 102.61 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.873 ' O ' HD23 ' A' ' 98' ' ' LEU . 34.8 m -127.2 164.66 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.56 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 19.1 m-85 -117.54 169.34 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.482 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 13.3 mt -146.41 133.66 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.676 ' HZ3' ' HA2' ' A' ' 76' ' ' GLY . 0.1 OUTLIER -139.86 94.32 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 77' ' ' GLN . 42.7 t -57.23 84.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 73' ' ' THR . 7.3 t -68.94 102.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 1.4 mm-40 164.44 -38.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.514 HG23 ' OE1' ' A' ' 77' ' ' GLN . 3.2 t -129.05 3.59 5.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.676 ' HA2' ' HZ3' ' A' ' 71' ' ' LYS . . . 65.62 76.27 0.34 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.514 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -148.77 144.4 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 19.6 m-85 -112.29 102.76 10.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 39' ' ' ILE . 4.3 tp -42.8 139.09 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -161.35 -175.54 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.555 ' HE1' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -154.27 113.33 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -76.71 177.23 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.0 p -59.45 -14.96 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.492 ' OD2' ' CZ ' ' A' ' 133' ' ' ARG . 2.8 t0 -85.5 8.65 18.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.13 27.08 5.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -105.05 107.1 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 0.814 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.029 HD21 HG23 ' A' ' 123' ' ' VAL . 2.8 mp -41.09 128.61 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.3 p90 -154.39 172.81 17.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -99.43 157.3 19.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.0 t -146.7 116.86 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -69.11 -5.82 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.4 p -114.76 99.61 52.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 101.7 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.6 m120 -157.26 -150.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.11 69.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CD ' ' HH ' ' A' ' 88' ' ' TYR . 27.2 tt0 -178.27 -54.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.3 t -68.1 -32.12 72.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.35 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -54.98 -179.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.805 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -160.79 122.84 3.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.53 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -62.63 104.78 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.57 ' HB2' HG13 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -84.32 160.06 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 110.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.548 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -173.05 79.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -28.57 96.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.7 tm-20 -61.4 -43.86 98.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -130.23 -105.04 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.558 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 5.7 t30 -143.32 36.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 1.7 m-70 -176.09 -66.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CD2' HD23 ' A' ' 145' ' ' LEU . 29.7 m-85 -53.41 133.68 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.64 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 59.9 m-20 -109.0 78.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.475 ' CG2' ' HG ' ' A' ' 145' ' ' LEU . 70.4 p -68.42 93.68 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.786 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 8.0 m-85 -81.27 -176.5 6.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.995 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -163.41 130.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.587 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 8.6 t -35.89 100.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.53 ' HG2' HD12 ' A' ' 100' ' ' LEU . 2.2 tmtm? -66.98 -26.66 66.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -65.31 -15.73 62.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.587 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -175.02 70.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.61 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.417 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -79.68 -8.04 58.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.09 -22.52 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 4.2 mttt -100.03 1.01 42.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 122' ' ' PHE . 30.5 m120 60.24 28.19 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 26.9 m0 -63.4 80.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 107.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.995 ' CE2' HD11 ' A' ' 112' ' ' ILE . 4.8 m-85 -62.1 177.32 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 1.029 HG23 HD21 ' A' ' 87' ' ' LEU . 5.9 p -113.75 20.95 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.739 ' C ' ' HB1' ' A' ' 143' ' ' ALA . . . -92.35 105.03 3.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.695 ' N ' ' HB1' ' A' ' 143' ' ' ALA . 0.8 OUTLIER -59.33 116.09 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.649 ' O ' ' N ' ' A' ' 128' ' ' ASN . 2.0 tttt -22.29 115.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.534 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -62.46 61.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.649 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -135.24 -42.37 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.556 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 130.07 52.77 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 131' ' ' CYS . 1.5 m 169.63 135.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.426 ' SG ' HD23 ' A' ' 125' ' ' LEU . 2.9 t -47.52 171.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.432 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 6.6 tptt -150.25 148.79 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.492 ' CZ ' ' OD2' ' A' ' 84' ' ' ASP . 0.1 OUTLIER -70.76 153.46 42.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.551 ' C ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.42 -56.78 1.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -74.99 54.84 3.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.768 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 175.68 38.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.14 93.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.0 OUTLIER -131.0 -164.46 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.696 ' HA ' HD13 ' A' ' 144' ' ' ILE . 0.1 OUTLIER -56.77 -156.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.419 ' N ' ' O63' ' A' ' 178' ' ' NTS . . . 47.2 22.2 1.33 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.516 ' C ' ' N ' ' A' ' 143' ' ' ALA . 39.7 mt-30 -143.07 103.09 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.568 ' HG3' ' C4 ' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -42.24 -22.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.739 ' HB1' ' C ' ' A' ' 124' ' ' GLY . . . -44.87 -46.51 10.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.956 HG13 HD12 ' A' ' 145' ' ' LEU . 19.1 pt -65.82 -34.68 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.956 HD12 HG13 ' A' ' 144' ' ' ILE . 7.4 mp -77.91 104.49 8.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 1.007 ' HB3' HD21 ' A' ' 28' ' ' LEU . 14.2 m-85 -112.44 125.57 54.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 107' ' ' HIS . 1.0 OUTLIER -110.22 98.73 36.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.415 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.3 Cg_endo -75.04 133.55 16.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.94 HD11 ' HG ' ' A' ' 27' ' ' LEU . 2.8 pp -123.83 73.64 54.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.749 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 174.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.811 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -174.48 46.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 14.2 t -59.0 84.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 151' ' ' VAL . 41.4 t -112.51 74.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.966 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.733 ' O61' HD11 ' A' ' 145' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.665 ' HG2' HG23 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.96 54.05 3.5 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -110.64 139.24 46.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.641 ' O ' HD12 ' A' ' 27' ' ' LEU . 3.6 pp -168.47 123.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD22 ' HB3' ' A' ' 146' ' ' PHE . 0.7 OUTLIER -69.94 169.38 13.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.723 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 57.2 t80 -159.5 147.52 17.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.428 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -92.03 147.03 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.424 ' OG ' ' HB3' ' A' ' 142' ' ' LYS . 79.2 p -66.72 -83.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.565 ' HB2' ' CG ' ' A' ' 142' ' ' LYS . 2.4 t30 -72.06 -48.08 46.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' O ' ' ND1' ' A' ' 35' ' ' HIS . . . -55.42 -32.16 57.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 58.63 12.13 12.76 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 78.0 m80 -79.64 140.69 37.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.751 . . . . 0.0 109.596 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 25.6 m-85 -109.84 89.76 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.833 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -36.82 152.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.575 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.99 -178.21 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.634 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -155.68 120.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.812 HD12 ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -105.34 142.11 24.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.673 ' HD3' ' CD2' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.06 5.17 4.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.35 -34.47 23.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.51 33.68 1.28 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.691 ' O ' HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -140.35 120.51 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 110.451 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -108.16 166.76 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.545 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 174.27 -170.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.901 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -133.42 122.27 3.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.491 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 1.1 m -89.92 136.97 32.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.36 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -47.16 -43.1 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.531 ' O ' ' C ' ' A' ' 51' ' ' ARG . 56.6 m-20 -146.93 112.95 5.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.605 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -25.67 92.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' ASP . 6.3 p -127.61 31.05 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.576 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -126.16 -178.08 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.16 -36.91 13.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.812 ' CE1' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.29 86.93 2.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.576 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -128.9 17.82 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 22.4 mp0 -84.83 162.35 19.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -147.53 165.14 31.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 3.8 tp60 -161.65 132.34 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.655 HD13 ' OH ' ' A' ' 111' ' ' TYR . 1.1 mt -93.63 160.03 14.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' ALA . 10.2 t -147.01 49.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.597 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -38.86 124.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -117.68 1.89 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 177.55 173.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.416 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -81.41 148.72 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.61 13.33 37.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.988 ' HB2' HD22 ' A' ' 98' ' ' LEU . 1.4 pm0 -166.94 118.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.798 HG11 ' OE1' ' A' ' 101' ' ' GLU . 27.6 m -134.97 164.51 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 18.8 m-85 -111.71 167.26 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.713 HD12 ' HD2' ' A' ' 99' ' ' PHE . 95.9 mt -142.8 126.05 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.609 ' CG ' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -129.53 92.86 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 t -54.11 95.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 73' ' ' THR . 13.5 t -54.52 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.82 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.494 HG21 HG23 ' A' ' 39' ' ' ILE . 30.0 p -80.27 -120.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.86 30.47 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.509 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -135.8 -169.08 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 71' ' ' LYS . 6.1 m-85 -138.85 131.49 28.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.461 ' HA ' HD12 ' A' ' 79' ' ' LEU . 5.3 tp -41.22 146.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.563 ' CB ' ' CE1' ' A' ' 88' ' ' TYR . . . -165.25 177.42 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.568 ' SD ' HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -147.83 88.78 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.536 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 16.1 m-20 -46.02 168.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.979 HG22 ' HE2' ' A' ' 115' ' ' LYS . 32.5 p -63.16 -11.83 23.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.395 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -78.28 -9.16 59.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.48 23.43 78.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 3.1 tt -112.06 111.7 22.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.568 HD12 ' SD ' ' A' ' 81' ' ' MET . 3.8 mp -39.38 134.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.563 ' CE1' ' CB ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -161.38 163.16 30.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.52 152.67 17.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 t -147.6 127.87 13.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 0.0 110.034 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.98 -1.1 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' A' ' 92' ' ' THR . 8.6 p -114.85 96.92 46.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.449 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 106.42 2.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' GLU . 4.0 m120 -149.88 -158.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.57 68.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' ASN . 24.3 tt0 -178.19 -59.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 5.2 t -61.44 -33.15 73.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.988 HD22 ' HB2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -55.21 173.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.713 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -149.51 113.17 5.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -56.71 98.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.798 ' OE1' HG11 ' A' ' 68' ' ' VAL . 11.7 tt0 -61.54 167.24 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 104' ' ' GLU . 4.3 mtm180 179.58 93.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.585 HD21 ' N ' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -58.61 83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.557 ' HG3' HD21 ' A' ' 145' ' ' LEU . 2.0 tm-20 -46.35 -45.98 17.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 1.6 tt0 -129.8 -102.7 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 16.4 t30 -141.7 36.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.655 ' HB3' HD23 ' A' ' 147' ' ' LEU . 2.1 m-70 -176.28 -59.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.412 ' HB3' ' HA ' ' A' ' 145' ' ' LEU . 6.3 m-85 -63.69 103.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.567 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 37.4 m-20 -85.8 64.72 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.874 ' CG2' HD23 ' A' ' 145' ' ' LEU . 40.7 p -51.24 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.404 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.655 ' OH ' HD13 ' A' ' 60' ' ' LEU . 43.6 m-85 -79.55 -167.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.79 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -169.52 119.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 112' ' ' ILE . 79.4 p -33.91 100.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.553 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -57.61 -17.44 14.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.979 ' HE2' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -89.18 -12.05 42.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.76 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 2.4 m-70 -143.1 39.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.53 -17.78 62.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -78.3 -20.04 52.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -102.38 -4.8 24.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.36 15.07 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.76 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 35.4 m0 -56.47 95.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 108.05 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.79 ' CE1' HD11 ' A' ' 112' ' ' ILE . 16.7 m-85 -74.35 -172.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 123' ' ' VAL . 4.3 p -121.52 13.48 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.493 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -84.92 105.88 2.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -60.07 121.0 10.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.5 tttt -24.58 119.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -64.33 60.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.605 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -140.65 -44.44 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.585 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.08 62.38 0.12 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.08 123.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.6 t -41.37 156.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 21.1 tptt -126.09 160.47 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.419 ' NE ' ' HG2' ' A' ' 135' ' ' PRO . 10.6 ptm180 -85.92 158.97 19.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -40.81 -57.04 2.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.419 ' HG2' ' NE ' ' A' ' 133' ' ' ARG . 18.3 Cg_endo -75.0 65.1 6.07 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.433 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 170.99 39.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 7.4 p -146.98 96.98 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.452 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -141.84 175.83 9.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.612 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.647 ' CD2' ' O61' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -52.85 -166.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.492 ' N ' ' O62' ' A' ' 178' ' ' NTS . . . 60.46 4.31 3.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.512 ' C ' ' H ' ' A' ' 143' ' ' ALA . 3.3 mp0 -125.04 103.42 8.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.567 ' HG2' ' C4 ' ' A' ' 178' ' ' NTS . 4.6 mmtt -52.69 -10.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 125' ' ' LEU . . . -53.55 -34.91 59.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.516 HG13 ' CG2' ' A' ' 110' ' ' THR . 4.4 pt -74.41 -29.76 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.874 HD23 ' CG2' ' A' ' 110' ' ' THR . 45.1 mt -66.55 108.36 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.493 ' CZ ' ' HA2' ' A' ' 124' ' ' GLY . 12.6 m-85 -120.81 121.83 39.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 107' ' ' HIS . 1.4 tm? -111.83 102.64 54.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.535 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -74.99 142.31 27.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -129.29 68.85 80.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.881 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.97 171.43 18.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.1 OUTLIER -171.59 36.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.7 t -39.5 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.4 t -172.82 71.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.039 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.647 ' O61' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.513 ' O ' HG22 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.98 -44.2 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -99.81 141.55 32.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 27' ' ' LEU . 2.2 pp -174.73 113.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.86 165.84 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -158.01 129.46 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -73.07 152.07 41.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 108.33 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 87.6 p -60.72 -87.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.456 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -77.85 -51.17 10.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -33.74 -41.7 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 71.05 2.73 48.84 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' NE2' ' C ' ' A' ' 128' ' ' ASN . 37.9 m80 -76.73 159.76 29.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 109.607 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 53.2 m-85 -130.27 97.37 4.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.775 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -39.71 159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.87 159.19 42.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.602 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -132.19 110.78 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -88.15 139.71 30.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.494 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.97 11.38 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -95.79 -30.45 13.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.89 21.08 4.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 111.05 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.604 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -123.56 132.39 53.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -109.32 167.24 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.549 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 176.84 -168.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.79 154.2 21.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.456 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.2 m -132.69 131.6 41.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -43.71 -45.72 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.2 m-20 -139.74 112.4 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.575 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -29.82 121.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t 179.81 69.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 10.2 t0 -141.68 -174.28 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.469 HE22 HD23 ' A' ' 40' ' ' LEU . 3.5 pm0 -58.29 -34.76 70.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.8 108.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -110.37 15.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.406 ' NE2' ' HD2' ' A' ' 25' ' ' PRO . 1.8 mt-30 -64.94 111.26 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.544 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 5.3 mt -111.16 133.95 53.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.504 ' CB ' HG23 ' A' ' 73' ' ' THR . 1.9 tp60 -131.55 135.61 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.805 HD22 ' OH ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -103.71 163.19 12.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 t -139.3 54.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -40.8 125.91 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -114.82 -3.78 12.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.21 137.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -41.61 137.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 3.54 70.79 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.612 ' HG2' HD13 ' A' ' 98' ' ' LEU . 2.5 tt0 -157.15 104.97 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.865 ' O ' HD23 ' A' ' 98' ' ' LEU . 23.8 m -132.75 162.27 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.516 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 25.8 m-85 -117.41 170.31 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.4 mt -146.47 129.15 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -134.88 116.33 14.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.602 ' CB ' HG21 ' A' ' 39' ' ' ILE . 1.2 t -50.07 100.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.504 HG23 ' CB ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -55.75 77.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.587 ' N ' ' O ' ' A' ' 72' ' ' SER . 18.8 tp10 173.21 -73.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.494 HG21 ' HB3' ' A' ' 41' ' ' PRO . 10.1 p -89.84 -132.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.496 ' HA2' ' HZ3' ' A' ' 71' ' ' LYS . . . -140.77 42.37 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.81 115.88 30.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.791 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 41.6 m-85 -91.99 107.51 19.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.585 HD13 ' CD1' ' A' ' 39' ' ' ILE . 6.5 tp -42.81 150.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -171.66 -178.05 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.843 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.25 116.2 9.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 33.7 m-20 -72.05 171.97 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 p -58.88 -15.67 13.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.82 5.02 26.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.495 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 58.31 23.48 53.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -106.15 105.93 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.843 HD12 ' HG3' ' A' ' 81' ' ' MET . 1.4 mp -38.95 138.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 82' ' ' ASP . 3.1 p90 -165.75 154.36 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.08 151.44 19.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.46 158.86 44.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -90.35 31.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.4 p -135.07 89.47 23.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 102.91 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -157.65 -163.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.227 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -39.76 -41.11 1.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.458 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 9.1 tt0 -57.95 -74.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -44.37 -39.94 5.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 108.305 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.865 HD23 ' O ' ' A' ' 68' ' ' VAL . 5.5 mt -48.9 167.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.693 ' HZ ' HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -151.13 102.97 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -52.48 101.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.603 ' CD ' HG11 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -67.14 176.73 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 101' ' ' GLU . 6.7 mtm180 -179.69 94.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 108' ' ' TYR . 13.5 tp -55.84 87.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.599 ' OE1' HD22 ' A' ' 145' ' ' LEU . 0.6 OUTLIER -64.52 -56.89 11.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 0.7 OUTLIER -99.52 -121.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.567 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 36.4 p-10 -132.02 39.39 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 13.4 m-70 -179.99 -61.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.545 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 15.6 m-85 -43.05 153.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.613 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 48.8 m-80 -125.68 63.3 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.48 ' CG2' HG13 ' A' ' 144' ' ' ILE . 67.1 p -54.56 97.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.845 ' CE2' HG21 ' A' ' 68' ' ' VAL . 24.6 m-85 -79.56 -177.6 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -159.04 131.62 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.591 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 22.8 t -42.03 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.477 ' CD ' ' HG3' ' A' ' 67' ' ' GLU . 15.2 tttp -63.73 -24.02 67.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.519 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -66.83 -10.81 51.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.591 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.95 61.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.564 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.469 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -72.33 -14.69 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.13 -17.83 21.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.555 ' CD ' ' CZ2' ' A' ' 121' ' ' TRP . 0.2 OUTLIER -99.78 -2.26 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 137' ' ' THR . 30.7 m120 62.12 37.73 14.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 39.3 m0 -78.92 95.73 5.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CD2' HD12 ' A' ' 144' ' ' ILE . 14.0 m-85 -76.23 -179.77 5.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.767 HG23 HD21 ' A' ' 87' ' ' LEU . 7.6 p -113.62 36.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.486 ' C ' HD23 ' A' ' 125' ' ' LEU . . . -93.39 119.95 6.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 131' ' ' CYS . 2.2 mt -95.15 125.63 39.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 128' ' ' ASN . 74.7 tttt -36.84 131.49 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.527 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -69.34 58.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 126' ' ' LYS . 3.7 m120 -143.28 -45.55 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.52 71.39 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 169.98 120.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.552 ' HA ' HD13 ' A' ' 125' ' ' LEU . 24.5 t -49.47 156.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 131' ' ' CYS . 0.3 OUTLIER -98.77 168.4 10.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.415 ' CD ' ' HG2' ' A' ' 135' ' ' PRO . 2.5 ptp180 -99.14 151.35 21.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -38.44 -54.38 2.18 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.494 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -75.0 51.24 2.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.445 1.761 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.5 39.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.441 ' H ' ' CE1' ' A' ' 138' ' ' HIS . 0.2 OUTLIER -126.61 60.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.49 ' N ' ' ND1' ' A' ' 138' ' ' HIS . 0.1 OUTLIER -131.97 133.82 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.564 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.699 ' HB2' HD11 ' A' ' 144' ' ' ILE . 10.2 p90 -54.77 -171.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 144.48 -16.71 2.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.542 ' HB2' ' C5 ' ' A' ' 178' ' ' NTS . 0.8 OUTLIER -135.5 -78.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 141' ' ' GLN . 0.0 OUTLIER 170.86 44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.609 ' HB2' ' C5 ' ' A' ' 178' ' ' NTS . . . -100.18 11.73 38.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 139' ' ' TYR . 1.1 pt -123.82 -24.29 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 145' ' ' LEU . 3.0 mt -54.24 100.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.775 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 4.6 m-85 -108.04 120.74 43.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.37 99.11 39.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 142.23 27.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.568 1.825 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.624 HD11 ' HG ' ' A' ' 27' ' ' LEU . 1.4 pp -132.99 65.1 73.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.855 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.01 165.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.4 OUTLIER -167.52 57.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.4 t -60.16 83.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.97 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 151' ' ' VAL . 33.4 t -132.7 56.03 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.609 ' C5 ' ' HB2' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -51.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -157.58 150.08 22.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.828 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -152.27 100.67 2.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -66.59 167.92 10.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.431 ' HD1' ' CE2' ' A' ' 36' ' ' PHE . 84.8 t80 -160.36 124.28 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER -79.45 143.24 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 108.293 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 p -57.85 -91.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 142' ' ' LYS . 1.7 t30 -62.98 -67.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -35.45 -37.68 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.08 17.48 44.88 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.451 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 3.7 m80 -85.38 159.1 20.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.685 ' CZ ' ' CZ ' ' A' ' 51' ' ' ARG . 72.7 m-85 -120.45 97.2 5.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.857 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -40.22 144.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.624 ' NH2' HG21 ' A' ' 48' ' ' THR . 9.1 ptp180 -139.29 141.17 37.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.73 HD12 HD13 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -120.28 120.8 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.827 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -93.79 138.01 22.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.01 10.38 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -93.58 -28.26 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.68 21.73 3.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.827 ' HB ' HD12 ' A' ' 40' ' ' LEU . 4.5 m -124.75 142.46 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 1.6 t -124.79 165.51 21.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.591 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 173.07 -171.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.888 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -127.79 166.43 20.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.624 HG21 ' NH2' ' A' ' 38' ' ' ARG . 56.9 m -142.61 123.76 14.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -45.13 -25.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -155.41 128.73 8.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.685 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -49.11 91.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' ASP . 5.2 p -136.38 46.18 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.945 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.527 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -119.86 -171.3 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.04 -39.6 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 99.81 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.527 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -113.73 18.14 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.648 ' O ' HD23 ' A' ' 58' ' ' LEU . 9.7 mp0 -66.73 166.63 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 57' ' ' GLN . 53.7 mt -155.92 -176.14 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 2.4 tt0 -173.13 132.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.31 161.88 13.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.4 t -146.62 53.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -40.15 127.34 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.8 pp20? -121.16 1.1 10.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 160.79 123.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -37.31 148.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.558 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 69.76 9.43 62.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.911 ' HG2' HD22 ' A' ' 98' ' ' LEU . 4.0 tt0 -172.73 106.09 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.837 ' O ' HD23 ' A' ' 98' ' ' LEU . 28.3 m -127.44 166.05 25.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.542 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 10.5 m-85 -110.26 165.05 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.602 HD12 ' HD2' ' A' ' 99' ' ' PHE . 57.0 mt -144.25 127.0 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -126.09 125.78 43.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.642 ' CB ' HG21 ' A' ' 39' ' ' ILE . 2.6 t -67.46 71.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 73' ' ' THR . 14.6 t -53.1 89.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.388 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' SER . 0.6 OUTLIER 171.41 -44.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 41' ' ' PRO . 69.0 p -103.01 -102.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.43 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -177.38 33.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -125.63 -168.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 36.8 m-85 -137.3 165.92 25.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.73 HD13 HD12 ' A' ' 39' ' ' ILE . 15.0 tp -101.13 134.96 43.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.731 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -153.96 -165.31 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.513 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -153.81 88.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.566 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 61.4 m-20 -48.88 175.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.401 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 9.7 m -62.44 -13.25 27.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -90.15 21.8 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.0 29.8 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' ASP . 3.3 tt -107.41 106.36 16.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.666 HD12 ' H ' ' A' ' 87' ' ' LEU . 6.3 mp -39.55 114.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -142.47 168.87 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.34 154.86 16.33 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.32 158.83 44.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.32 38.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.2 p -143.49 93.45 6.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 105.43 2.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -155.31 -167.77 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -38.58 -44.93 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' CG ' ' HG3' ' A' ' 115' ' ' LYS . 18.5 tt0 -56.26 -73.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.731 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 14.2 t -42.89 -43.34 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.911 HD22 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -51.28 172.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.602 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -152.22 99.01 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -39.64 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.632 ' HB2' HG22 ' A' ' 68' ' ' VAL . 27.2 tt0 -77.66 160.37 28.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.879 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER 178.55 76.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 106' ' ' ASN . 8.5 tp -35.12 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.648 ' OE1' HD11 ' A' ' 145' ' ' LEU . 1.4 tm-20 -45.09 -60.09 2.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -115.12 -100.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.571 ' HA ' HD21 ' A' ' 103' ' ' LEU . 47.5 p-10 -146.42 50.63 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 1.3 m-70 179.97 -52.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.753 ' CE2' HD23 ' A' ' 145' ' ' LEU . 4.5 m-85 -77.82 131.8 37.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.595 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 14.2 m120 -102.36 50.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 104' ' ' GLU . 46.4 p -47.35 97.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 3.1 m-85 -86.28 -171.36 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.879 HD12 ' NH2' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -154.54 121.81 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.458 ' HB3' ' CE ' ' A' ' 81' ' ' MET . 59.5 p -39.74 95.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.51 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 4.6 tttm -55.02 -18.42 5.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.436 ' HG3' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -72.27 -19.04 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.513 ' CE1' ' O ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -163.93 65.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.604 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.525 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -86.5 -22.95 26.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.94 -15.22 20.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -102.56 -1.11 31.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.1 m120 64.02 46.05 3.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 45.3 m0 -91.73 102.37 14.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 107.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.705 ' CD2' HD12 ' A' ' 144' ' ' ILE . 12.2 m-85 -77.37 -176.44 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 111' ' ' TYR . 4.0 p -124.07 91.86 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.412 ' HA3' ' C ' ' A' ' 143' ' ' ALA . . . -160.02 134.74 3.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.888 HD22 ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -80.71 124.97 29.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.75 122.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.03 60.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.6 m-20 -160.68 -41.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 136.55 88.99 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 169.8 158.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 6.2 t -101.89 144.66 30.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.467 ' CD ' ' HB ' ' A' ' 137' ' ' THR . 0.0 OUTLIER -69.57 179.44 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -165.63 58.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 117.28 -137.43 13.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.477 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 18.4 Cg_endo -75.06 60.55 5.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.445 ' CB ' ' HG3' ' A' ' 132' ' ' LYS . 0.8 OUTLIER -130.86 3.69 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.602 ' C ' ' CG ' ' A' ' 138' ' ' HIS . 4.9 t -123.26 119.21 29.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.602 ' CG ' ' C ' ' A' ' 137' ' ' THR . 0.3 OUTLIER -163.99 -179.04 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.604 ' CD2' ' O63' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -53.13 -167.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.443 ' N ' ' O61' ' A' ' 178' ' ' NTS . . . 58.78 10.4 8.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.472 ' C ' ' N ' ' A' ' 143' ' ' ALA . 58.1 mt-30 -136.96 106.33 6.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.53 ' HD3' ' C3 ' ' A' ' 178' ' ' NTS . 1.6 mptp? -51.45 -14.84 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.472 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -51.1 -28.66 11.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.705 HD12 ' CD2' ' A' ' 122' ' ' PHE . 3.6 pt -78.66 -31.0 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.753 HD23 ' CE2' ' A' ' 108' ' ' TYR . 5.0 mp -65.83 106.0 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.8 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 6.0 m-85 -117.91 119.43 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.422 ' CD2' ' HD2' ' A' ' 148' ' ' PRO . 0.2 OUTLIER -108.85 105.96 57.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.422 ' HD2' ' CD2' ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.02 127.33 10.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.2 pp -134.53 64.45 64.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.812 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.02 172.58 16.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.812 HG13 ' O ' ' A' ' 150' ' ' PRO . 2.1 m -163.81 36.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 15.3 t -41.99 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 46.1 t -171.16 73.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.604 ' O63' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -64.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 27' ' ' LEU . 6.9 tttt -176.98 145.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -136.68 102.96 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -68.12 167.57 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.769 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 24.6 t80 -162.65 152.15 15.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.61 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 46.8 m -82.66 157.54 23.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.575 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 28.9 t -68.22 -142.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.591 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -36.99 145.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.591 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 20.45 52.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.61 ' HA3' ' CB ' ' A' ' 30' ' ' CYS . . . -104.64 164.33 14.62 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.595 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 0.5 OUTLIER -101.09 -159.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.606 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.769 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 50.1 m-85 -134.72 101.62 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.925 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -41.55 163.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -154.55 158.77 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -127.88 108.57 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.826 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -88.02 141.35 31.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.659 ' HG3' HE22 ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.98 7.95 2.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.91 -33.38 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.79 32.73 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.826 ' HB ' HD12 ' A' ' 40' ' ' LEU . 3.5 m -127.09 161.18 29.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.424 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -131.3 163.4 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.701 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 177.97 -173.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.948 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -135.32 138.37 9.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.46 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.8 m -107.33 122.02 45.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -46.0 22.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 51' ' ' ARG . 4.7 m-20 -128.01 90.34 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.627 ' CG ' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -25.96 116.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.2 t 179.56 69.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . 6.3 t0 -136.76 -175.22 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.659 HE22 ' HG3' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -55.72 -44.85 77.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.509 ' CD2' ' OE1' ' A' ' 74' ' ' GLU . 25.2 m-70 -166.55 102.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.909 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -110.7 -0.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.448 ' N ' ' OE1' ' A' ' 57' ' ' GLN . 7.1 mp0 -56.64 144.39 32.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.7 mp -141.02 178.67 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' NE2' ' HD3' ' A' ' 26' ' ' LYS . 5.8 tp-100 -168.22 149.66 5.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD21 ' CZ ' ' A' ' 111' ' ' TYR . 1.2 mt -105.53 166.66 10.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 69' ' ' TYR . 5.1 t -147.06 53.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.07 125.85 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.882 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -116.07 -2.17 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.57 130.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -40.1 139.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.62 3.84 83.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.891 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.6 tt0 -164.56 106.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.831 ' O ' HD23 ' A' ' 98' ' ' LEU . 33.2 m -127.43 168.38 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.526 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 11.1 m-85 -119.18 169.59 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.554 ' CG1' HD23 ' A' ' 60' ' ' LEU . 97.0 mt -145.59 128.99 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -136.0 106.86 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' GLU . 7.6 t -66.61 79.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -51.22 90.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.509 ' OE1' ' CD2' ' A' ' 55' ' ' HIS . 3.6 mm-40 -170.72 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.793 HG23 ' OE1' ' A' ' 77' ' ' GLN . 2.1 t -157.79 58.24 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 32.26 91.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.793 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -152.53 121.75 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 55.4 m-85 -106.51 106.64 17.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.478 ' HB2' HG22 ' A' ' 70' ' ' ILE . 8.4 tp -46.63 157.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -170.76 -169.76 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.576 ' HE1' HG21 ' A' ' 137' ' ' THR . 0.0 OUTLIER -155.74 88.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.457 ' O ' ' NE2' ' A' ' 116' ' ' HIS . 12.1 m-20 -46.57 165.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.56 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 2.5 m -56.65 -16.72 6.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 134' ' ' GLY . 3.1 m-20 -80.81 3.58 22.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.72 29.98 58.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.753 HD12 ' HD2' ' A' ' 133' ' ' ARG . 5.4 tt -109.37 108.85 19.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.52 HD21 HG23 ' A' ' 123' ' ' VAL . 2.5 mp -39.79 120.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 90' ' ' SER . 0.3 OUTLIER -151.79 160.53 43.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.98 142.9 17.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -146.66 155.46 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.017 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.03 38.86 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.5 p -134.62 89.34 26.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.65 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.7 m120 -157.68 -154.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.38 59.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' ASN . 6.1 tt0 -167.14 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.466 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -73.25 -23.27 60.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.891 HD22 ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -71.39 175.54 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.606 ' CE2' HG21 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -153.71 121.71 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.514 HD12 ' HG3' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -62.56 99.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 3.4 tt0 -80.14 138.08 36.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -155.04 82.12 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.6 tp -29.93 99.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.607 ' OE2' HD21 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -58.84 -53.81 54.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -110.96 -106.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.539 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 4.3 t30 -147.83 39.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 20.8 m-70 -165.09 -76.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.607 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.6 ' CD1' HD23 ' A' ' 147' ' ' LEU . 26.1 m-85 -45.34 171.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.616 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 71.1 m-20 -128.47 50.72 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.526 ' OG1' ' CB ' ' A' ' 104' ' ' GLU . 14.8 p -48.27 109.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.117 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.651 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -99.52 -170.55 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.643 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -157.95 111.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.607 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 0.9 OUTLIER -32.46 98.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.514 ' HG3' HD12 ' A' ' 100' ' ' LEU . 10.6 tttm -58.45 -18.13 26.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HD3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -68.66 -9.81 52.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.607 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -177.16 69.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.616 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.505 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -93.99 14.79 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.32 -21.36 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -108.65 5.24 24.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 122' ' ' PHE . 1.3 m-20 66.13 23.91 10.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.577 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 35.3 m0 -60.62 83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.967 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.678 ' CZ ' ' CD1' ' A' ' 139' ' ' TYR . 8.9 m-85 -60.05 -172.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.606 HG21 ' CE2' ' A' ' 99' ' ' PHE . 3.3 p -126.65 101.21 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.64 ' C ' ' HB1' ' A' ' 143' ' ' ALA . . . -174.53 136.22 3.43 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.157 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.948 HD13 ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -78.27 118.91 20.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 128' ' ' ASN . 16.0 tttt -24.39 118.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -62.43 60.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.652 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.4 m-20 -142.66 -45.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.595 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 139.99 57.27 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.59 150.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.444 ' HB2' HD23 ' A' ' 125' ' ' LEU . 13.0 t -92.86 161.57 14.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -123.4 177.89 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.753 ' HD2' HD12 ' A' ' 86' ' ' LEU . 11.6 ptt180 -143.59 128.06 17.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 87.79 -137.06 14.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.473 ' HA ' ' NE1' ' A' ' 121' ' ' TRP . 18.4 Cg_endo -74.98 72.64 4.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.47 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 1.4 mpt_? -155.27 23.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.576 HG21 ' HE1' ' A' ' 81' ' ' MET . 6.1 t -145.24 94.09 2.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 139' ' ' TYR . 21.8 m80 -136.66 -174.03 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.596 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.678 ' CD1' ' CZ ' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -56.52 -156.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.949 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 39.54 26.99 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.437 1.086 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.547 ' O ' ' N ' ' A' ' 143' ' ' ALA . 49.5 mt-30 -139.81 95.89 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 0.796 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.531 ' HG3' ' C4 ' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -39.04 -24.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.64 ' HB1' ' C ' ' A' ' 124' ' ' GLY . . . -49.35 -41.43 38.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.981 HG13 HD12 ' A' ' 145' ' ' LEU . 10.8 pt -68.33 -34.28 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.981 HD12 HG13 ' A' ' 144' ' ' ILE . 8.0 mp -76.7 112.16 12.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.706 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 11.5 m-85 -116.58 119.76 36.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.6 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -103.27 107.1 54.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.16 13.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.643 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.8 pp -131.72 66.56 78.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.892 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 167.86 26.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -171.76 54.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 16.7 t -53.63 89.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 151' ' ' VAL . 41.4 t -137.91 59.71 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.797 ' O61' HD11 ' A' ' 145' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.668 ' HB2' HG23 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.96 119.1 5.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER 167.63 138.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.213 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -167.71 115.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -67.48 -173.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.785 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 7.6 t80 179.39 152.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.636 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 67.7 m -77.14 157.49 30.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.8 t -71.87 -106.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.04 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.77 ' O ' ' N ' ' A' ' 34' ' ' GLY . 27.0 t30 -38.76 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 16.65 44.93 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.77 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -74.47 -151.33 2.38 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.648 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 1.3 m80 -107.7 176.9 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.785 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 24.3 m-85 -116.52 104.72 11.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.754 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -34.95 149.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.462 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -149.08 132.03 16.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -110.49 112.27 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.12 142.62 36.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.98 8.68 2.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.79 -28.96 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.4 18.06 5.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.636 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -122.11 134.18 54.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 110.405 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.63 166.72 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.68 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -177.96 -163.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.454 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -147.62 128.3 2.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.473 ' C ' ' HB3' ' A' ' 35' ' ' HIS . 1.1 m -98.76 124.19 43.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 110.366 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 17.6 ptt-85 -38.23 -53.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 51' ' ' ARG . 23.6 m-20 -131.3 107.15 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.606 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -24.28 111.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.5 t -161.88 60.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.576 ' HB3' HG23 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -135.35 -169.09 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.586 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -84.04 -38.47 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.586 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -155.33 100.98 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.884 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -121.38 5.18 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 72.0 mt-30 -60.43 169.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 14.8 mt -153.27 176.88 11.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.03 117.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.742 HD23 HG23 ' A' ' 70' ' ' ILE . 7.6 mt -80.16 154.24 28.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -144.89 47.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.973 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.738 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -38.2 124.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.65 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -105.59 -9.59 17.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.39 -163.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.425 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -90.68 154.45 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 50.18 27.47 11.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.961 ' HB2' HD22 ' A' ' 98' ' ' LEU . 1.5 pt-20 -178.27 127.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.761 ' O ' HD23 ' A' ' 98' ' ' LEU . 14.6 m -141.06 166.25 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.602 ' CE2' ' SG ' ' A' ' 97' ' ' CYS . 23.9 m-85 -119.97 105.76 11.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.742 HG23 HD23 ' A' ' 60' ' ' LEU . 5.3 mt -90.26 136.1 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.4 136.68 41.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.461 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 29.6 t -89.67 78.66 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 73' ' ' THR . 15.3 t -64.1 84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 179.32 -44.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.439 ' CG2' ' CG2' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -114.6 -29.24 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.426 ' HA2' ' NZ ' ' A' ' 71' ' ' LYS . . . 97.68 80.48 1.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -160.21 151.94 19.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 74.2 m-85 -120.46 111.83 18.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tp -44.6 131.57 6.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.661 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -156.26 168.48 27.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.614 ' SD ' HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -142.18 116.65 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.589 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 56.3 m-20 -74.83 174.11 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 p -57.35 -16.67 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.35 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.53 9.15 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.508 ' O ' ' HE3' ' A' ' 81' ' ' MET . . . 51.23 20.7 5.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -96.56 103.61 15.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.997 HD21 HG23 ' A' ' 123' ' ' VAL . 4.7 mp -38.64 132.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.589 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -162.1 159.2 25.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.053 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -120.26 155.52 16.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.64 159.33 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.491 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 7.7 tt0 -79.56 3.97 17.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.6 p -114.87 89.89 20.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HA ' ' SG ' ' A' ' 97' ' ' CYS . 18.2 Cg_endo -75.03 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' CYS . 8.3 m120 -147.18 -173.87 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.498 ' HA ' HD12 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -42.78 -27.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 94' ' ' ASN . 50.9 tt0 -73.9 -45.9 47.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.4 p -67.81 -32.94 73.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.961 HD22 ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -51.65 169.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.46 97.56 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.567 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -42.97 105.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -118.22 146.92 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.55 HH21 HD12 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -139.21 -90.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 103' ' ' LEU . 0.1 OUTLIER 178.41 119.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.934 ' CD ' HD21 ' A' ' 145' ' ' LEU . 7.3 tm-20 -92.31 -41.25 10.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.524 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -130.37 -98.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.544 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 15.7 t-20 -161.94 36.12 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 22.8 m-70 -165.16 -69.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.734 ' CD2' HD22 ' A' ' 145' ' ' LEU . 24.4 m-85 -51.35 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.607 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 76.5 m-20 -151.36 76.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.505 ' CG2' HG13 ' A' ' 144' ' ' ILE . 72.8 p -68.06 98.4 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 13.5 m-85 -79.21 -175.8 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.914 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -166.53 128.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.552 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 8.9 t -34.79 109.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.047 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.567 ' HG2' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -75.01 -28.35 60.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.47 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -67.28 -9.73 43.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.552 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -179.96 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.576 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.544 ' HB1' ' CG2' ' A' ' 112' ' ' ILE . . . -83.08 -3.76 57.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.03 -17.96 55.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -102.29 -0.9 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 68.87 15.63 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 39.1 m0 -49.26 110.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.914 ' CE1' HD11 ' A' ' 112' ' ' ILE . 24.1 m-85 -93.3 178.73 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.997 HG23 HD21 ' A' ' 87' ' ' LEU . 7.5 p -113.9 12.24 8.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -84.54 101.54 2.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.68 HD22 ' C ' ' A' ' 46' ' ' ASP . 1.2 mp -58.82 120.14 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.626 ' O ' ' N ' ' A' ' 128' ' ' ASN . 6.0 tttt -24.51 116.87 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.56 60.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.626 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.1 t-20 -140.77 -43.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.648 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 135.63 56.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.48 144.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 13.7 t -69.9 162.14 28.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.34 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.491 ' CD ' ' HB3' ' A' ' 136' ' ' ARG . 1.2 mttp -129.52 145.36 51.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.73 170.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.608 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -44.43 -60.91 3.45 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CD ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -74.98 52.62 3.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 135' ' ' PRO . 1.0 OUTLIER -164.93 28.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 6.8 p -142.15 98.17 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -141.99 175.2 9.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.617 ' CE2' ' O61' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -54.36 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.014 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.533 ' N ' ' O62' ' A' ' 178' ' ' NTS . . . 64.18 4.34 11.63 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.48 ' C ' ' N ' ' A' ' 143' ' ' ALA . 3.9 mp0 -131.04 105.08 7.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 0.805 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.996 ' HA ' HD12 ' A' ' 145' ' ' LEU . 1.8 mmtt -53.1 -12.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.48 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -50.56 -36.18 33.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.655 HD12 ' CE2' ' A' ' 122' ' ' PHE . 3.0 pt -72.38 -30.92 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.996 HD12 ' HA ' ' A' ' 142' ' ' LYS . 6.8 mt -67.81 113.34 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.754 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 3.2 m-85 -117.77 116.9 27.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 149' ' ' LEU . 1.3 tm? -106.13 104.27 48.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.513 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.03 144.12 29.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -135.13 62.46 51.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.883 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.02 177.16 8.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -177.47 44.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.9 t -42.25 104.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 31.2 t -173.19 71.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.617 ' O61' ' CE2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.527 ' O ' HG21 ' A' ' 73' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 137.69 21.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.533 ' CE ' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -170.25 146.33 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.59 ' CD1' HD21 ' A' ' 149' ' ' LEU . 1.3 pp -153.83 123.62 6.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HG ' ' NZ ' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -69.66 153.4 43.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.564 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 41.4 t80 -139.68 118.23 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 137.64 58.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 108.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.449 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 29.4 t -46.15 -87.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 33' ' ' GLY . 2.7 t30 -73.32 -63.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -33.24 -38.47 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.566 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 64.41 9.01 34.63 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 19.9 m80 -73.38 152.47 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 0.81 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 50' ' ' ASP . 19.8 m-85 -120.11 104.1 9.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.768 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -46.63 164.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -145.64 -177.75 5.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.652 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -156.25 139.16 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -111.85 144.17 30.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.98 3.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -91.55 -49.2 6.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.45 48.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.494 ' CB ' HD23 ' A' ' 40' ' ' LEU . 1.3 m -141.41 168.61 19.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 110.373 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 1.8 t -146.2 168.19 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 176.41 -169.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.688 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -133.62 172.19 21.69 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.452 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 32.0 m -154.69 123.51 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.43 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -38.46 -43.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -142.61 124.48 15.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.47 123.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -179.67 68.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.487 ' OD2' ' NE2' ' A' ' 54' ' ' GLN . 5.4 t0 -144.72 -175.96 4.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.487 ' NE2' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -60.5 -40.11 90.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.423 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 6.1 m-70 -171.03 104.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.495 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -104.45 8.64 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 73' ' ' THR . 32.3 mt-30 -45.16 153.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' A' ' 37' ' ' LEU . 18.1 mt -156.25 172.18 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -178.46 132.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.836 HD23 HG12 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -98.56 163.84 12.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 2.5 t -145.12 56.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -44.01 128.52 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.746 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -118.39 -2.69 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.519 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 158.65 142.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.17 138.89 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.486 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 67.75 14.74 65.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.61 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.9 tt0 -164.13 103.91 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.768 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.004 ' O ' HD23 ' A' ' 98' ' ' LEU . 32.7 m -133.23 170.78 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.546 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 14.1 m-85 -123.2 168.46 12.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.836 HG12 HD23 ' A' ' 60' ' ' LEU . 96.1 mt -145.52 127.18 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.27 103.85 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.502 ' CB ' HG21 ' A' ' 39' ' ' ILE . 1.5 t -64.36 74.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 73' ' ' THR . 13.8 t -45.8 94.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' SER . 2.0 tm-20 166.88 -36.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.9 p -97.56 -102.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.67 39.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.77 -177.14 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 36.3 m-85 -131.53 129.3 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.493 ' HB2' HG22 ' A' ' 70' ' ' ILE . 6.9 tp -45.65 161.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -178.81 175.47 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.409 ' HE2' ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -139.38 113.22 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.534 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 66.3 m-20 -71.71 178.04 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.46 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 33.5 p -58.42 -15.66 11.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -85.9 -6.83 59.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.506 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 67.79 14.19 64.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -90.08 106.81 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 123' ' ' VAL . 6.6 mp -39.15 123.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.534 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 3.4 p90 -148.24 146.14 28.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.84 153.73 31.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.06 133.01 18.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.68 2.88 18.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 92' ' ' THR . 11.5 p -116.09 92.46 35.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.45 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.6 m120 -157.19 -152.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.75 68.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.466 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 11.0 tt0 179.95 -43.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.591 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -79.77 -25.65 40.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 108.3 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.004 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -60.52 177.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.717 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -154.24 119.04 4.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -66.59 100.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -83.54 165.58 18.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.35 81.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 102' ' ' ARG . 3.6 tp -29.56 94.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 102' ' ' ARG . 3.6 tm-20 -60.32 -49.88 75.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.2 tt0 -110.35 -105.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.579 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 42.3 p-10 -150.35 43.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 1.8 m-70 -177.16 -58.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.917 ' CD2' HD13 ' A' ' 145' ' ' LEU . 9.6 m-85 -64.15 150.37 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 7.8 m-20 -117.86 65.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.536 ' CG2' HG13 ' A' ' 144' ' ' ILE . 69.7 p -53.78 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.584 ' HB2' HG11 ' A' ' 123' ' ' VAL . 5.2 m-85 -80.09 -170.74 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.637 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -161.25 144.91 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.564 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 30.4 t -55.35 88.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.491 ' HA ' HD12 ' A' ' 100' ' ' LEU . 1.6 tttm -56.17 -24.76 43.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.38 -14.85 58.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.565 ' CD2' ' HE3' ' A' ' 115' ' ' LYS . 0.1 OUTLIER 179.97 72.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.602 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.453 ' HB1' HG21 ' A' ' 112' ' ' ILE . . . -82.21 -1.23 48.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.67 -18.1 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.8 OUTLIER -110.33 7.14 22.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' PHE . 1.2 m-20 61.1 23.8 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 31.3 m0 -55.6 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.637 ' CE2' HD11 ' A' ' 112' ' ' ILE . 6.0 m-85 -74.33 -170.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.664 HG23 HD21 ' A' ' 87' ' ' LEU . 4.5 p -131.85 99.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -152.35 159.31 28.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.688 HD13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -115.76 121.12 41.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 128' ' ' ASN . 0.0 OUTLIER -35.6 131.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -68.05 58.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 126' ' ' LYS . 11.1 m120 -150.8 -45.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 138.09 74.65 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.9 140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.975 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 166.86 5.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 108.275 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 136' ' ' ARG . 11.5 tttt -106.99 154.0 21.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 135' ' ' PRO . 0.0 OUTLIER -96.4 152.05 18.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -43.71 -51.38 6.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -75.06 49.13 2.19 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.1 OUTLIER 169.39 38.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -121.89 73.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.472 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 3.5 m80 -138.12 139.05 39.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.175 . . . . 0.0 109.592 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.696 ' HB2' HD11 ' A' ' 144' ' ' ILE . 13.9 p90 -68.68 -177.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 160.02 -32.59 0.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.539 ' HB2' ' C10' ' A' ' 178' ' ' NTS . 0.6 OUTLIER -123.41 -77.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.413 ' CG ' ' O32' ' A' ' 178' ' ' NTS . 0.0 OUTLIER 173.84 39.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.51 ' HB2' ' C4 ' ' A' ' 178' ' ' NTS . . . -91.28 6.87 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.696 HD11 ' HB2' ' A' ' 139' ' ' TYR . 0.8 OUTLIER -120.44 -23.17 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.917 HD13 ' CD2' ' A' ' 108' ' ' TYR . 4.7 mt -50.63 92.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.494 ' HE2' HG22 ' A' ' 123' ' ' VAL . 1.9 m-85 -95.54 123.92 39.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -107.33 103.02 46.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.56 19.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.7 pp -125.87 79.39 68.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.812 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.97 164.97 32.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.812 HG13 ' O ' ' A' ' 150' ' ' PRO . 1.6 m -164.06 49.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.8 t -75.49 88.2 2.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.4 t -113.24 75.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.539 ' C10' ' HB2' ' A' ' 141' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.72 ' CB ' HG23 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -74.95 84.55 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 4.1 tptt 178.09 128.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.778 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -162.28 123.84 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.626 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -88.36 177.24 6.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.672 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 9.6 t80 -175.44 159.66 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.596 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 61.5 m -80.38 120.73 24.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.314 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.608 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 52.3 p -30.04 -91.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.652 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -52.5 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.89 53.33 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -89.31 -149.95 21.73 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.407 ' HB3' ' C ' ' A' ' 48' ' ' THR . 1.7 m80 -110.71 -172.72 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.632 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 32.1 m-85 -123.0 100.16 6.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.894 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -34.6 148.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.55 ' NH2' HG21 ' A' ' 48' ' ' THR . 3.8 ptp180 -149.11 146.72 27.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.489 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -122.82 117.74 52.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.608 HD12 HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -88.07 141.92 31.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 7.83 2.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.2 -28.94 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.35 18.93 5.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.608 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.23 141.99 50.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 110.38 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 79' ' ' LEU . 2.3 t -112.48 169.15 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.794 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 173.61 -171.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.653 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -137.66 145.17 16.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.55 HG21 ' NH2' ' A' ' 38' ' ' ARG . 3.3 m -121.76 126.36 48.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' THR . 12.5 ttm180 -38.6 -34.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -148.9 117.91 6.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.38 120.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.5 p -179.16 68.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 4.4 t0 -140.67 -174.37 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -39.09 76.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.518 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 2.4 m-70 -173.99 106.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.626 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -107.89 14.42 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -49.99 149.9 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -147.52 167.64 23.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -174.14 127.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.68 HD23 ' CG1' ' A' ' 70' ' ' ILE . 1.8 mt -93.93 162.42 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.447 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.1 t -144.44 51.61 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.01 125.95 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.716 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -117.35 -1.66 11.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.63 127.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -38.89 144.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.22 5.46 76.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.729 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.0 tt0 -170.59 105.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.839 ' O ' HD23 ' A' ' 98' ' ' LEU . 34.3 m -125.44 169.47 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 17.1 m-85 -117.39 167.93 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.68 ' CG1' HD23 ' A' ' 60' ' ' LEU . 95.1 mt -146.66 128.71 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -132.45 103.57 6.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.489 ' CB ' HG21 ' A' ' 39' ' ' ILE . 6.0 t -63.01 78.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 73' ' ' THR . 1.6 t -51.46 110.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.518 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 18.5 tp10 165.58 -42.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.5 HG23 ' OE1' ' A' ' 77' ' ' GLN . 1.5 t -152.87 50.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.395 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.29 85.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.5 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -142.77 127.05 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.32 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 41.0 m-85 -110.06 106.8 16.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.486 ' HB2' HG22 ' A' ' 70' ' ' ILE . 5.6 tp -50.67 146.5 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -163.56 -174.54 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.556 ' HE1' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -151.99 116.59 5.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -77.58 178.23 7.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.588 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 21.6 m -57.73 -16.29 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -89.92 10.7 22.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 47.93 23.03 2.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -94.88 104.6 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.986 HD21 HG23 ' A' ' 123' ' ' VAL . 3.1 mp -39.83 124.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.9 p90 -148.19 169.12 20.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -116.25 146.35 18.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 145.45 33.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -78.83 2.8 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 p -116.57 94.24 42.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 100.24 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 96' ' ' GLU . 7.2 m120 -137.11 -174.27 3.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' ASN . 1.2 mp0 -36.51 -33.4 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 94' ' ' ASN . 7.4 tt0 -65.25 -65.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.7 t -47.57 -36.53 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.326 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.839 HD23 ' O ' ' A' ' 68' ' ' VAL . 2.8 mt -52.27 172.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -154.81 112.29 3.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 111.075 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.598 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -49.52 103.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.707 ' HB2' HG13 ' A' ' 68' ' ' VAL . 1.1 tt0 -87.53 141.44 28.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.629 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -162.13 67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -21.01 95.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.582 ' HG2' HD21 ' A' ' 145' ' ' LEU . 0.7 OUTLIER -50.28 -54.86 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.6 tt0 -113.11 -102.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.543 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.6 t30 -143.78 40.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 1.5 m-70 179.85 -47.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.544 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.651 ' CD2' HD22 ' A' ' 145' ' ' LEU . 2.4 m-85 -71.55 113.49 8.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 39.2 m-20 -89.91 49.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.636 ' CG2' HD23 ' A' ' 145' ' ' LEU . 1.1 p -40.67 99.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.671 ' CE2' HG21 ' A' ' 68' ' ' VAL . 5.1 m-85 -88.62 174.15 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.988 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -155.68 132.42 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.611 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 15.7 t -36.19 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.598 ' HG2' HD12 ' A' ' 100' ' ' LEU . 1.9 tmtm? -67.23 -26.08 66.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.484 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -65.63 -11.64 46.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.611 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -179.92 70.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.83 -3.3 53.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -61.2 -19.23 61.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 3.8 mttt -101.91 -1.02 32.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.543 ' O ' ' CD1' ' A' ' 122' ' ' PHE . 0.9 OUTLIER 68.87 15.28 8.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.589 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 45.3 m0 -51.15 109.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 108.046 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.988 ' CE1' HD11 ' A' ' 112' ' ' ILE . 29.5 m-85 -90.17 -176.59 4.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.986 HG23 HD21 ' A' ' 87' ' ' LEU . 7.5 p -117.71 22.98 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.501 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -98.02 111.71 4.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.894 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -63.3 114.69 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 128' ' ' ASN . 3.7 tmtt? -23.01 112.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.524 ' CE ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -60.91 62.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.682 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -137.02 -41.51 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.51 50.31 0.1 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 131' ' ' CYS . 1.6 t 169.52 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 110.02 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 125' ' ' LEU . 2.5 t -48.11 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.5 mptt -141.66 158.89 43.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 135' ' ' PRO . 27.0 ptt180 -85.28 164.22 18.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.576 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.15 -58.03 1.05 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.4 Cg_endo -74.96 58.97 5.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 177.28 37.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.432 ' CG2' ' C ' ' A' ' 136' ' ' ARG . 3.6 p -149.31 101.22 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.569 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -143.92 -178.83 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.614 ' CD2' ' O62' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -54.97 -159.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 44.25 19.42 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.142 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 143' ' ' ALA . 12.4 mt-30 -128.61 84.92 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.239 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.943 ' HA ' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -33.74 -28.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 141' ' ' GLN . . . -45.7 -41.82 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.635 HD12 ' CE2' ' A' ' 122' ' ' PHE . 18.1 pt -69.3 -34.16 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.943 HD12 ' HA ' ' A' ' 142' ' ' LYS . 11.5 mt -70.44 111.81 6.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.863 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 6.4 m-85 -116.77 135.81 53.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.93 102.64 19.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.6 18.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.613 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.5 pp -132.78 64.57 71.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.641 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.06 -169.37 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.72 HG23 ' CB ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -161.35 28.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.5 t -41.65 102.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 30.7 t -144.41 77.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.982 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.705 ' C7 ' HD11 ' A' ' 145' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 151' ' ' VAL . 70.0 mttt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HZ1' ' HB2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -177.29 145.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.2 pp -149.24 109.97 4.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' HZ1' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -63.57 171.31 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 9.0 t80 -165.36 143.23 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.632 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 10.9 m -77.54 149.58 34.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.649 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -55.39 -163.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.649 ' N ' ' OG ' ' A' ' 31' ' ' SER . 1.9 m-20 -35.5 146.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 34.99 53.99 0.87 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA3' ' CB ' ' A' ' 30' ' ' CYS . . . -123.65 164.58 16.74 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.583 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 2.0 m80 -104.48 176.53 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.593 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 82.6 m-85 -109.85 98.52 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.838 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -39.0 132.05 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.506 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 4.5 ptp180 -124.93 173.64 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.644 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.99 143.33 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.644 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -111.65 145.19 32.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.01 2.87 6.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.22 -55.81 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.37 44.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.569 ' CB ' HD23 ' A' ' 40' ' ' LEU . 1.3 m -137.62 168.68 19.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.481 ' N ' ' CG2' ' A' ' 44' ' ' THR . 0.2 OUTLIER -148.04 159.76 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 175.86 -173.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.778 ' HA3' HD22 ' A' ' 125' ' ' LEU . . . -134.71 144.56 16.56 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 4.2 m -116.89 126.64 53.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 110.411 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.579 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -37.52 -36.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.477 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -146.61 120.04 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.593 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.8 114.75 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 52' ' ' SER . 8.8 p -172.52 65.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.506 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.1 t0 -137.07 -175.15 3.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.512 ' CD ' ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -72.11 -17.85 61.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.615 ' CD2' ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER 175.03 110.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 -179.931 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.598 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.94 19.3 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.92 152.93 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.1 mp -147.91 -173.64 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -178.52 136.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.898 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.492 HD23 HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -102.1 161.81 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 t -145.44 53.55 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.053 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.644 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -39.35 126.41 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.99 1.9 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 172.66 172.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -73.23 149.73 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.625 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 49.42 21.19 2.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.673 ' OE2' HD13 ' A' ' 98' ' ' LEU . 3.4 tt0 -163.59 109.18 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.734 ' O ' HD23 ' A' ' 98' ' ' LEU . 20.8 m -133.67 165.6 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 8.4 m-85 -107.14 178.22 4.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.579 HD12 ' CD2' ' A' ' 99' ' ' PHE . 21.3 mt -156.33 127.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -133.5 107.92 8.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' GLN . 2.0 t -57.83 83.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 73' ' ' THR . 13.8 t -59.32 82.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.615 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 9.0 tp10 -164.08 -53.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.597 HG23 ' OE1' ' A' ' 77' ' ' GLN . 1.8 t -148.53 63.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.424 ' HA2' ' HZ2' ' A' ' 71' ' ' LYS . . . 35.56 92.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.597 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -154.14 141.15 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 93' ' ' PRO . 29.0 m-85 -122.62 109.37 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.571 HD22 ' CD2' ' A' ' 58' ' ' LEU . 4.7 tp -51.52 139.72 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -162.63 178.54 8.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.49 ' HE3' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -140.92 116.11 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -72.78 170.76 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.444 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 5.1 m -56.68 -17.14 7.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.19 2.1 29.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.427 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 60.38 19.05 52.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -102.53 109.77 21.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.774 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.803 HD11 HG23 ' A' ' 123' ' ' VAL . 0.2 OUTLIER -39.48 129.18 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.9 p90 -149.65 170.48 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -112.56 159.03 13.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.32 140.28 19.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 110.042 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -74.82 -1.65 23.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.9 p -116.16 90.94 30.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.468 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.0 97.08 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.54 1.811 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.53 -156.7 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -48.53 -34.31 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.497 ' OE2' ' CD ' ' A' ' 115' ' ' LYS . 7.9 tt0 -64.42 -68.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.559 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.1 t -41.8 -45.91 3.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 108.306 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 68' ' ' VAL . 5.1 mt -44.9 167.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -146.01 112.56 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -58.38 99.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.549 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -83.43 174.19 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.865 ' CZ ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER 177.07 82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.546 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.2 OUTLIER -27.99 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.628 ' CD ' HD22 ' A' ' 145' ' ' LEU . 0.9 OUTLIER -68.4 -37.04 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.2 tt0 -124.46 -107.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.584 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 8.5 t30 -152.29 37.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 9.8 m-70 -169.44 -71.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.639 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.646 ' CG ' ' HB3' ' A' ' 145' ' ' LEU . 25.9 m-85 -49.24 -178.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.632 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 88.1 m-20 -148.54 78.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.61 ' CG2' HG13 ' A' ' 144' ' ' ILE . 73.2 p -68.86 96.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.674 ' HE2' HG21 ' A' ' 68' ' ' VAL . 10.5 m-85 -79.79 178.3 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.865 HD12 ' CZ ' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -155.71 129.67 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.482 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 7.6 t -35.86 102.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.594 ' HA ' HD12 ' A' ' 100' ' ' LEU . 12.6 tttm -68.96 -39.26 79.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.497 ' CD ' ' OE2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -53.55 -20.77 5.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.482 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -172.91 73.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.55 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.66 ' HB1' ' CG2' ' A' ' 112' ' ' ILE . . . -86.04 -4.91 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.41 -14.09 25.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -107.72 1.09 22.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 122' ' ' PHE . 1.0 OUTLIER 65.38 23.39 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.566 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 38.7 m0 -59.35 89.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.01 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.923 ' CE2' HD12 ' A' ' 144' ' ' ILE . 11.0 m-85 -66.89 -173.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.803 HG23 HD11 ' A' ' 87' ' ' LEU . 7.7 p -123.37 21.89 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' A' ' 125' ' ' LEU . . . -82.0 -176.2 51.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.778 HD22 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -147.31 116.64 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.737 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 128' ' ' ASN . 35.2 tttt -37.37 128.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.534 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.88 58.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 126' ' ' LYS . 15.2 m120 -132.29 -43.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.583 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 131.49 60.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 131' ' ' CYS . 2.1 m 169.72 134.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.746 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 130' ' ' SER . 2.0 t -47.78 172.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 108.297 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.673 ' HB3' HG22 ' A' ' 137' ' ' THR . 7.8 tttt -116.17 145.35 43.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.602 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -78.66 151.51 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.937 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.512 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -34.97 -67.24 0.29 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.95 54.39 3.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 4.2 mtt180 -175.88 33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.673 HG22 ' HB3' ' A' ' 132' ' ' LYS . 2.2 p -136.31 103.78 5.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.429 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -157.12 136.9 12.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.632 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.784 ' HB2' HD11 ' A' ' 144' ' ' ILE . 6.3 p90 -65.23 -175.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.489 ' N ' ' CD2' ' A' ' 139' ' ' TYR . . . 154.52 -21.89 0.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.557 ' HB3' ' C4 ' ' A' ' 178' ' ' NTS . 1.4 mp0 -134.05 -76.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.504 ' HB3' HD11 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 169.59 52.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.517 ' HB2' ' C5 ' ' A' ' 178' ' ' NTS . . . -110.88 20.42 17.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.923 HD12 ' CE2' ' A' ' 122' ' ' PHE . 0.7 OUTLIER -130.65 -26.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.646 ' HB3' ' CG ' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -55.77 99.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.838 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 2.8 m-85 -89.29 120.4 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.562 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -104.14 104.24 42.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -74.97 135.84 19.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 149' ' ' LEU . 2.7 pp -132.12 74.3 76.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.889 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.98 164.92 32.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -173.97 62.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.9 t -62.18 80.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 151' ' ' VAL . 12.5 t -128.28 61.98 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.966 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 179.986 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.557 ' C4 ' ' HB3' ' A' ' 141' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.506 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.4 Cg_endo -74.97 -26.48 10.94 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -108.91 149.82 28.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 2.5 pp -176.17 146.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -85.48 170.24 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -154.7 127.27 7.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -75.88 120.73 21.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.478 ' OG ' ' CZ ' ' A' ' 108' ' ' TYR . 3.7 t -37.86 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' GLY . 2.9 m120 -99.85 -37.16 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -36.17 -40.32 0.38 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' ARG . . . 74.31 0.38 57.2 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -96.43 159.28 15.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.636 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 87.1 m-85 -116.79 103.65 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.93 ' HB3' HD13 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -37.77 132.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 1.4 ptp180 -135.96 160.37 38.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.848 ' CG1' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -156.88 152.12 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.709 HD23 ' CG2' ' A' ' 44' ' ' THR . 0.4 OUTLIER -113.74 139.73 23.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.494 ' CD ' ' OE1' ' A' ' 54' ' ' GLN . 18.3 Cg_endo -75.01 4.94 4.3 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.0 -43.0 11.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.83 44.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.709 ' CG2' HD23 ' A' ' 40' ' ' LEU . 2.0 m -142.73 162.21 36.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.848 HG13 ' CG1' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -151.01 161.19 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.94 -171.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.932 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -125.9 166.32 18.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 26.7 m -143.94 124.42 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.6 OUTLIER -46.99 -25.06 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.541 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -152.15 128.81 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.561 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -52.96 115.54 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -178.02 68.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.505 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 1.5 t0 -141.41 -175.32 4.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.591 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -57.18 -36.19 70.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.612 ' CD2' ' HG3' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -179.49 108.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.574 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.462 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -111.28 26.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.506 ' NE2' ' HA ' ' A' ' 24' ' ' LYS . 29.8 mt-30 -78.15 124.96 28.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.93 HD13 ' HB3' ' A' ' 37' ' ' LEU . 1.3 mp -138.7 115.07 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 70' ' ' ILE . 10.8 tp-100 -105.74 158.19 16.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.694 HD22 ' OH ' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -107.49 163.45 13.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.0 t -149.96 52.61 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.592 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -44.51 128.98 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -121.98 0.82 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.519 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 161.78 151.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.9 m -57.97 137.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 72.02 6.1 63.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.545 1.153 . . . . 0.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.685 ' HG2' HD13 ' A' ' 98' ' ' LEU . 3.0 tt0 -156.75 101.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.829 ' O ' HD23 ' A' ' 98' ' ' LEU . 21.7 m -131.55 166.55 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.573 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 24.3 m-85 -117.69 167.84 10.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.847 HD12 ' CD2' ' A' ' 99' ' ' PHE . 94.2 mt -144.13 122.46 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.19 130.38 55.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.504 ' O ' ' C ' ' A' ' 73' ' ' THR . 23.3 t -76.09 69.63 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.504 ' C ' ' O ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -29.14 95.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.405 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.612 ' HG3' ' CD2' ' A' ' 55' ' ' HIS . 2.0 tm-20 176.18 -70.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -127.34 59.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 30.54 62.84 0.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.451 ' OE1' ' HA ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -99.71 -165.47 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.416 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 32.7 m-85 -161.06 122.48 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.519 ' HB2' HG22 ' A' ' 70' ' ' ILE . 7.2 tp -76.69 138.45 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.666 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -152.79 174.9 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ttm -137.49 119.53 15.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.2 175.43 6.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.597 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 37.6 m -56.41 -17.88 9.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -90.02 13.04 15.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.501 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 50.9 20.69 4.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -94.05 103.48 15.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.946 HD21 ' CG2' ' A' ' 123' ' ' VAL . 8.0 mp -38.18 126.86 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -148.53 158.66 44.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.25 145.19 17.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.78 135.09 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.0 41.5 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.8 p -143.57 90.54 7.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 95.42 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.8 m120 -160.46 -152.99 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -65.58 72.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 94' ' ' ASN . 9.6 tt0 179.88 -58.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.666 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.3 t -63.66 -35.96 82.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.27 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 68' ' ' VAL . 2.8 mt -45.83 170.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.847 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -149.14 99.62 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.67 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -48.2 100.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 102' ' ' ARG . 4.2 tm-20 -118.95 159.17 24.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.42 ' O ' ' OE2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -151.7 -93.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 102' ' ' ARG . 4.2 tp -176.45 119.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.508 ' HB2' HG21 ' A' ' 110' ' ' THR . 13.2 tm-20 -95.68 -35.57 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.418 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 2.0 tt0 -130.17 -114.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 1.4 t-20 -137.8 30.13 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.519 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -170.12 -66.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.596 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.932 ' CE2' HD13 ' A' ' 145' ' ' LEU . 7.1 m-85 -38.82 159.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 11.4 m120 -132.37 68.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 104' ' ' GLU . 70.0 p -60.27 99.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.694 ' OH ' HD22 ' A' ' 60' ' ' LEU . 15.6 m-85 -79.53 -178.15 6.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.939 HD11 ' CZ ' ' A' ' 122' ' ' PHE . 19.2 mt -156.97 134.69 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.611 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 8.3 t -48.36 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -55.36 -40.19 70.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -20.91 5.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.611 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -168.02 71.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.583 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.67 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -87.35 -8.29 56.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -58.79 -15.58 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.9 OUTLIER -108.01 3.33 23.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.4 OUTLIER 61.39 30.81 19.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.1 m0 -64.44 86.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 108.034 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.939 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 15.3 m-85 -71.13 -175.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.946 ' CG2' HD21 ' A' ' 87' ' ' LEU . 14.3 p -125.04 108.56 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -157.52 164.17 32.9 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.932 HD13 ' HA3' ' A' ' 47' ' ' GLY . 1.5 mt -119.21 118.58 31.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ASN . 8.4 tttt -33.81 131.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.532 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -68.08 59.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -154.85 -44.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.942 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 136.67 78.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.53 151.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.435 ' HA ' HD23 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -69.48 163.38 25.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.34 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.19 157.38 16.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 149.24 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.621 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -43.33 -53.01 5.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.4 Cg_endo -75.03 49.01 2.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.99 39.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -122.52 61.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.482 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 2.4 m80 -126.92 135.8 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.637 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.744 ' HB2' HD11 ' A' ' 144' ' ' ILE . 11.9 p90 -66.26 -178.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 159.44 -28.68 0.38 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.551 ' HB2' ' C10' ' A' ' 178' ' ' NTS . 0.5 OUTLIER -124.44 -82.22 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 110.249 -179.935 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.427 ' HA ' ' HG ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 174.83 41.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.676 ' HB2' ' C4 ' ' A' ' 178' ' ' NTS . . . -95.56 8.35 43.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.744 HD11 ' HB2' ' A' ' 139' ' ' TYR . 0.9 OUTLIER -120.87 -22.78 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.932 HD13 ' CE2' ' A' ' 108' ' ' TYR . 7.1 mt -51.9 103.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -108.67 118.49 36.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 147' ' ' LEU . 0.6 OUTLIER -110.63 103.64 54.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.524 ' HG3' HD11 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.01 138.91 23.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 149' ' ' LEU . 3.2 pp -124.77 73.45 63.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.891 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.99 163.94 34.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.891 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -173.54 54.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.1 t -61.69 80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 151' ' ' VAL . 12.5 t -133.92 58.16 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.676 ' C4 ' ' HB2' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 24.8 mttp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.5 Cg_endo -74.96 -62.49 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -109.4 146.31 34.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.65 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -137.69 116.67 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -91.13 154.36 19.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 71.9 t80 -144.64 132.98 21.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.57 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -96.08 105.04 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 53.6 p -35.14 -71.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.463 ' N ' ' OG ' ' A' ' 31' ' ' SER . 1.4 t-20 -60.63 120.01 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.56 ' HA3' ' CE1' ' A' ' 35' ' ' HIS . . . 81.75 -10.82 49.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.562 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 48.47 37.49 19.26 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' ' HA3' ' A' ' 33' ' ' GLY . 77.1 m80 -78.93 154.89 29.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.486 ' O ' ' C ' ' A' ' 37' ' ' LEU . 94.7 m-85 -121.12 97.8 5.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.838 ' HG ' HD11 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -33.72 147.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.527 ' CB ' HG22 ' A' ' 56' ' ' ILE . 7.6 ptp180 -143.68 131.68 21.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.905 HD11 HD13 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -110.18 111.35 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.576 HD12 HG22 ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.86 141.8 33.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 8.98 2.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.447 1.761 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -29.29 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.02 17.05 5.54 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.576 HG22 HD12 ' A' ' 40' ' ' LEU . 1.1 m -119.7 137.7 53.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 110.373 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.453 HG12 ' H ' ' A' ' 46' ' ' ASP . 2.3 t -116.22 169.53 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.607 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 171.43 -171.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.87 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -127.52 154.85 19.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' PHE . 65.4 m -129.37 123.37 31.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -38.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.483 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 2.9 m-20 -144.28 125.45 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.8 103.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 p -155.21 56.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -129.08 -168.53 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.566 ' NE2' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -78.58 -41.25 32.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -159.21 101.55 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.614 179.941 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.827 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.2 pp -119.07 9.69 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 55' ' ' HIS . 11.4 mp0 -58.35 152.76 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.9 mp -145.21 178.17 8.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' OE1' ' CD ' ' A' ' 26' ' ' LYS . 3.7 tp-100 -177.88 153.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.719 HD13 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -113.37 164.25 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.7 t -145.97 56.3 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.65 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -39.77 127.91 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.778 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -118.93 -1.93 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.247 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.13 137.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.14 137.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 72.28 10.85 75.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.76 ' HG2' HD22 ' A' ' 98' ' ' LEU . 2.4 tt0 -163.5 104.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 110.26 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.951 ' O ' HD23 ' A' ' 98' ' ' LEU . 27.7 m -130.3 167.33 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.542 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 8.9 m-85 -116.52 169.63 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.011 HD12 ' CD2' ' A' ' 99' ' ' PHE . 86.2 mt -146.91 125.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -132.11 113.63 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.792 ' HB2' HD13 ' A' ' 39' ' ' ILE . 1.3 t -68.17 71.15 0.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 73' ' ' THR . 14.9 t -50.99 89.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 73' ' ' THR . 2.4 mm-40 159.45 -25.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.2 m -108.5 -29.51 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.81 15.61 57.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.458 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -112.82 -172.85 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 20.9 m-85 -132.46 149.11 52.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.905 HD13 HD11 ' A' ' 39' ' ' ILE . 10.1 tp -86.64 114.65 23.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -137.14 169.4 17.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.01 98.92 4.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.563 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 44.0 m-20 -54.78 170.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.643 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 1.1 p -60.41 -14.21 17.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -72.8 -15.87 61.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' CA ' ' CZ3' ' A' ' 121' ' ' TRP . . . 79.5 15.17 80.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -113.23 114.22 26.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.869 HD21 HG23 ' A' ' 123' ' ' VAL . 6.7 mp -40.22 134.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.1 p90 -151.02 170.74 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -88.5 147.77 20.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -146.12 113.37 6.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.985 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -0.38 20.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' A' ' 92' ' ' THR . 11.1 p -116.43 94.6 43.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 100.79 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.5 m120 -158.27 -149.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -65.93 68.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' ASN . 8.4 tt0 179.86 -48.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.5 t -70.75 -37.33 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.951 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -47.63 173.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 1.011 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -148.76 101.2 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.514 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -55.38 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 111' ' ' TYR . 12.9 tm-20 -118.8 167.2 11.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -153.8 -89.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.284 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.838 HD11 ' HA ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER 179.24 125.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.729 ' OE2' HD13 ' A' ' 145' ' ' LEU . 22.5 tt0 -96.17 -33.41 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.602 ' O ' HD21 ' A' ' 103' ' ' LEU . 3.3 mm-40 -130.11 -97.83 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.838 ' HA ' HD11 ' A' ' 103' ' ' LEU . 5.1 t30 -166.99 52.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 4.6 m170 -179.95 -62.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.604 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.592 ' CD2' ' CD1' ' A' ' 145' ' ' LEU . 9.7 m-85 -60.77 -172.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.501 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 6.0 m120 -153.59 84.33 1.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.658 HG21 ' HB2' ' A' ' 104' ' ' GLU . 17.9 p -72.16 102.13 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.719 ' OH ' HD13 ' A' ' 60' ' ' LEU . 13.8 m-85 -78.98 -178.19 5.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.493 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -159.28 114.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 112' ' ' ILE . 23.8 p -33.01 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.581 ' HE3' HD13 ' A' ' 98' ' ' LEU . 4.2 tttm -55.76 -25.26 39.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.643 ' NZ ' HG23 ' A' ' 83' ' ' THR . 0.3 OUTLIER -82.48 -4.81 58.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.743 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -148.29 31.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.602 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.514 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -66.69 -10.85 50.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.96 -22.16 53.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -108.32 3.63 23.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.9 OUTLIER 56.95 29.43 16.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.886 ' HA ' HG23 ' A' ' 137' ' ' THR . 27.9 m0 -64.16 81.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' A' ' 144' ' ' ILE . 13.0 m-85 -58.37 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.869 HG23 HD21 ' A' ' 87' ' ' LEU . 13.1 p -121.11 109.48 25.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -163.13 150.63 19.67 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.87 HD13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -105.34 125.46 51.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 128' ' ' ASN . 10.7 tttt -35.05 130.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 59.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 126' ' ' LYS . 10.3 m120 -156.55 -43.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 139.81 69.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.5 t 174.71 144.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.972 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.6 178.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.348 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -85.06 -155.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.675 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -156.65 100.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.894 ' O ' HG22 ' A' ' 137' ' ' THR . . . 2.44 -80.56 0.0 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ARG . 18.4 Cg_endo -74.95 58.5 4.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER 169.33 40.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.894 HG22 ' O ' ' A' ' 134' ' ' GLY . 0.5 OUTLIER -135.49 59.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.547 ' C ' ' O61' ' A' ' 178' ' ' NTS . 1.6 m80 -118.61 134.48 55.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.863 ' HB2' HD11 ' A' ' 144' ' ' ILE . 8.1 p90 -54.93 -167.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 131.35 -2.35 5.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.553 ' CD ' ' C4 ' ' A' ' 178' ' ' NTS . 25.9 mp0 -143.74 -101.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.43 ' O ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -165.06 23.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.613 ' HB3' ' C5 ' ' A' ' 178' ' ' NTS . . . -75.67 -6.09 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.863 HD11 ' HB2' ' A' ' 139' ' ' TYR . 1.6 pt -115.83 -12.06 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.729 HD13 ' OE2' ' A' ' 104' ' ' GLU . 4.1 tp -58.11 82.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.738 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.8 m-85 -89.07 121.31 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 149' ' ' LEU . 0.8 OUTLIER -113.65 106.88 53.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.401 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -74.99 119.83 5.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.456 1.766 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -125.52 73.74 68.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.819 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 168.63 24.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.819 HG13 ' O ' ' A' ' 150' ' ' PRO . 2.3 m -163.79 38.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' VAL . 11.2 t -37.78 97.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 151' ' ' VAL . 93.6 p -132.96 28.0 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.685 ' O62' HG23 ' A' ' 144' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -159.05 138.33 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -146.34 118.74 8.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -80.89 164.59 22.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 21.8 t80 -138.82 138.64 37.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 143' ' ' ALA . 0.1 OUTLIER -91.01 136.47 33.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 108.298 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.3 t -65.88 -73.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' CG ' ' HB2' ' A' ' 142' ' ' LYS . 0.2 OUTLIER -78.64 136.57 37.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -18.21 39.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.511 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 64.7 9.65 40.05 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.573 ' HE2' ' CA ' ' A' ' 129' ' ' GLY . 27.5 m80 -56.26 168.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.61 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 51.6 m-85 -140.78 105.17 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.76 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -34.89 142.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.744 ' HB2' HG22 ' A' ' 56' ' ' ILE . 3.9 ptp180 -144.9 159.46 42.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.838 HD12 HG13 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -147.61 151.82 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.618 HD23 ' CG2' ' A' ' 44' ' ' THR . 0.5 OUTLIER -109.38 143.14 27.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 3.98 5.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.08 -48.69 7.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.17 45.16 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.618 ' CG2' HD23 ' A' ' 40' ' ' LEU . 1.5 m -143.16 166.07 25.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.838 HG13 HD12 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -143.51 163.93 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 172.27 -171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.47 177.07 17.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.552 1.157 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.505 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 29.9 m -154.24 123.13 6.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -34.94 -40.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -143.41 124.66 14.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HD2' HD13 ' A' ' 27' ' ' LEU . 2.8 ptt180 -47.18 119.49 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 179.98 69.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.497 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -141.14 -175.62 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -51.86 -47.14 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 3.1 m-70 -169.42 103.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.3 pp -106.83 13.59 8.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -64.95 149.11 50.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -143.31 -172.97 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.537 ' CB ' HG23 ' A' ' 73' ' ' THR . 4.8 tp60 -177.27 134.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.527 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -97.53 161.12 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 t -144.39 51.54 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.422 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.07 126.0 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.76 -2.44 12.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER 159.35 132.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -41.14 137.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.61 -7.21 58.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.847 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.3 tt0 -151.21 104.76 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.965 ' O ' HD23 ' A' ' 98' ' ' LEU . 32.8 m -128.83 166.28 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.56 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 21.1 m-85 -120.23 167.35 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.768 HD12 ' HD2' ' A' ' 99' ' ' PHE . 96.8 mt -143.27 125.62 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.584 ' HZ2' ' HA2' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -124.45 105.85 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.506 ' CB ' ' HG1' ' A' ' 75' ' ' THR . 8.8 t -55.91 86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.537 HG23 ' CB ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -56.2 83.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 0.0 110.399 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.4 mm-40 159.84 -48.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.775 HG21 HG23 ' A' ' 39' ' ' ILE . 40.4 p -80.92 -11.77 59.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.584 ' HA2' ' HZ2' ' A' ' 71' ' ' LYS . . . 68.18 4.74 37.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -102.0 -164.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 58.5 m-85 -131.54 159.5 38.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.793 HD13 ' H ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -89.7 154.56 19.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.793 ' H ' HD13 ' A' ' 79' ' ' LEU . . . -173.54 174.28 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.584 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -136.26 96.54 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.575 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 58.4 m-20 -49.32 169.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.491 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 1.4 p -60.27 -14.03 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 21.07 3.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 44.9 25.02 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tt -104.34 108.06 19.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.652 HD21 HG23 ' A' ' 123' ' ' VAL . 8.1 mp -39.87 122.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.543 ' CG ' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -150.52 162.03 41.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 110.999 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -114.14 158.7 14.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.15 161.05 39.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -88.21 39.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.2 p -145.35 91.96 5.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 97' ' ' CYS . 18.3 Cg_endo -74.96 85.95 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' GLU . 6.0 m120 -129.3 -175.05 3.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER -38.68 -34.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.239 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -64.83 -65.56 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.679 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -50.16 -28.86 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.965 HD23 ' O ' ' A' ' 68' ' ' VAL . 1.2 mt -64.73 168.25 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.768 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -145.26 100.63 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.482 HD12 ' HG3' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -43.13 101.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.936 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.477 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER -110.1 145.76 36.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.808 HH21 HD12 ' A' ' 112' ' ' ILE . 3.0 ptt180 -142.12 -94.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.76 121.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.986 ' OE2' HD21 ' A' ' 145' ' ' LEU . 3.9 tm-20 -95.93 -45.54 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 3.2 mm-40 -129.96 -103.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.557 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 2.2 t30 -161.78 42.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.557 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -162.94 -51.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.619 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 1.073 ' CE2' HD23 ' A' ' 145' ' ' LEU . 4.5 m-85 -81.57 -171.65 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.606 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 5.1 m120 -152.14 65.8 0.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 104' ' ' GLU . 41.2 p -48.53 121.22 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.606 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 3.0 m-85 -106.12 171.59 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.005 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.9 OUTLIER -150.63 120.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 17.1 t -37.6 102.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HG3' HD12 ' A' ' 100' ' ' LEU . 20.0 tttm -59.72 -27.39 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.97 -26.06 68.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.608 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -155.59 64.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.627 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -89.28 -9.8 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.65 -7.58 45.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -111.77 -1.9 15.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 63.23 42.21 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 44.1 m0 -84.0 77.53 9.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.046 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 1.005 ' CE1' HD11 ' A' ' 112' ' ' ILE . 15.6 m-85 -54.52 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.652 HG23 HD21 ' A' ' 87' ' ' LEU . 12.6 p -117.09 22.0 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.478 ' HA3' ' CG2' ' A' ' 144' ' ' ILE . . . -88.26 104.39 3.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.76 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -59.96 125.02 22.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -30.79 123.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.1 58.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.1 t-20 -141.41 -43.65 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.573 ' CA ' ' HE2' ' A' ' 35' ' ' HIS . . . 127.11 67.43 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.89 132.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.621 ' SG ' HD23 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -64.89 159.53 22.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.287 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -116.22 -179.41 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.36 140.45 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.4 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 62.2 -140.48 46.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.448 ' O ' ' NE ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.01 77.09 3.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.448 ' NE ' ' O ' ' A' ' 135' ' ' PRO . 0.4 OUTLIER -160.07 26.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.7 OUTLIER -152.36 92.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.455 ' CE1' ' H ' ' A' ' 137' ' ' THR . 0.6 OUTLIER -140.91 -170.41 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.564 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.642 ' CD2' ' O62' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -55.8 -160.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.72 7.22 20.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.515 ' C ' ' N ' ' A' ' 143' ' ' ALA . 39.9 mt-30 -138.58 100.25 4.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.752 ' HG3' HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -49.13 -14.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.515 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -49.56 -27.18 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.65 HG13 HD12 ' A' ' 145' ' ' LEU . 5.2 pt -73.6 -30.0 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 1.073 HD23 ' CE2' ' A' ' 108' ' ' TYR . 10.7 mp -68.77 85.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.441 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 4.8 m-85 -91.32 119.31 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 147' ' ' LEU . 0.7 OUTLIER -101.37 108.11 53.74 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -74.98 128.48 11.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.629 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.8 pp -132.92 66.06 75.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.887 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.96 167.27 27.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -172.2 47.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 13.9 t -43.25 96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 151' ' ' VAL . 41.4 t -134.23 59.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.642 ' O62' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.598 ' CB ' HG23 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.01 -45.04 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -89.95 128.41 36.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.686 HD13 ' CD1' ' A' ' 36' ' ' PHE . 1.7 pp -174.04 126.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.234 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -84.17 156.13 22.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 30' ' ' CYS . 45.2 t80 -155.65 136.94 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.629 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -76.24 165.63 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 108.289 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -95.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 34' ' ' GLY . 10.6 t30 -53.98 117.87 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.163 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 33.18 34.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.547 ' HA3' ' CB ' ' A' ' 30' ' ' CYS . . . -51.4 160.28 1.96 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 0.6 OUTLIER -106.55 -157.26 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.739 . . . . 0.0 109.553 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CD1' HD13 ' A' ' 27' ' ' LEU . 92.8 m-85 -141.06 84.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.752 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -35.77 153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.35 158.33 43.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.599 HD12 ' CG ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -125.08 107.03 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -87.42 141.96 32.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 8.83 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.36 -31.65 13.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.14 21.46 4.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.685 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -121.04 131.35 54.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 0.741 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.535 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -110.72 166.29 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.59 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 175.73 -172.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.45 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -132.78 138.18 9.95 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.475 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 78.7 m -115.91 123.48 48.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -40.49 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -128.22 113.34 15.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.589 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -51.19 121.48 6.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.43 ' O ' ' OG ' ' A' ' 52' ' ' SER . 0.7 OUTLIER 179.45 70.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.55 ' CG ' ' NE2' ' A' ' 54' ' ' GLN . 22.8 t0 -140.75 -176.78 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.556 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -52.73 -40.08 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 54' ' ' GLN . 18.5 m-70 -173.45 106.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.63 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -110.61 16.54 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.405 ' OE1' HG23 ' A' ' 73' ' ' THR . 0.3 OUTLIER -67.35 128.5 36.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -121.26 172.42 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 2.0 tp-100 -169.91 139.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD13 ' OH ' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -101.21 161.22 13.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.5 t -145.74 52.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -42.49 126.77 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.792 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -115.98 -2.85 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.0 130.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -39.12 142.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.24 4.22 67.87 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.692 ' HG2' HD13 ' A' ' 98' ' ' LEU . 1.5 tt0 -165.23 103.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.319 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.885 HG21 ' CE2' ' A' ' 111' ' ' TYR . 35.8 m -128.41 168.02 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 16.5 m-85 -117.45 166.1 12.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.531 HD12 ' CD2' ' A' ' 99' ' ' PHE . 70.2 mt -145.6 130.0 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.8 128.0 29.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.521 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 16.2 t -82.09 70.09 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 73' ' ' THR . 11.8 t -38.53 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.527 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 175.54 -51.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 75' ' ' THR . 15.1 t -138.01 46.08 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 37.01 48.61 1.42 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.599 ' CG ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -109.56 114.1 27.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 51.4 m-85 -91.73 154.93 18.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 79' ' ' LEU . 8.7 tp -97.74 144.99 26.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.729 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -166.24 -178.62 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.648 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -143.04 115.15 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.574 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 34.5 m-20 -73.16 170.96 13.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 m -55.62 -18.08 6.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.88 7.66 20.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 55.32 17.85 12.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -96.39 105.54 17.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.648 HD12 ' HG3' ' A' ' 81' ' ' MET . 3.4 mp -38.62 134.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.574 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.6 p90 -161.73 164.4 29.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -116.58 164.0 12.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.99 153.41 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 10.7 tt0 -78.7 2.89 18.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.2 p -116.1 90.6 29.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 109.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 96' ' ' GLU . 8.3 m120 -148.55 -172.85 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 98' ' ' LEU . 1.9 mp0 -37.77 -31.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 94' ' ' ASN . 4.6 tt0 -66.86 -59.07 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.729 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 17.3 t -60.2 -26.0 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.294 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.0 mt -59.95 174.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -153.61 114.3 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.596 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -57.19 101.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 6.9 tt0 -78.81 162.7 25.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.73 86.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.558 HD21 ' N ' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -35.76 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.8 tm-20 -52.67 -43.27 65.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -126.56 -104.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.569 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 7.0 t30 -137.55 24.09 2.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 69.7 m-70 -165.81 -66.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.988 ' CD2' HD23 ' A' ' 145' ' ' LEU . 23.3 m-85 -49.91 131.07 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.625 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 10.0 m120 -109.1 80.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.555 ' CG2' HG13 ' A' ' 144' ' ' ILE . 57.9 p -72.87 96.87 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.885 ' CE2' HG21 ' A' ' 68' ' ' VAL . 18.0 m-85 -79.62 179.63 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.931 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -157.3 136.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.648 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 5.8 t -38.34 106.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.596 ' HG2' HD12 ' A' ' 100' ' ' LEU . 3.4 tmtm? -74.1 -16.31 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.485 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -80.24 -8.99 59.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.648 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.87 63.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 112' ' ' ILE . . . -76.31 -10.36 59.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -59.34 -15.43 16.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.549 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -101.57 -3.2 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 69.07 19.61 7.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 45.9 m0 -59.23 108.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.931 ' CE1' HD11 ' A' ' 112' ' ' ILE . 16.4 m-85 -88.9 178.85 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.585 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 7.5 p -112.34 9.64 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.54 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -85.79 102.97 2.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.752 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.8 121.48 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 128' ' ' ASN . 20.0 tttt -23.76 117.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.62 60.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.622 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.8 t-20 -140.13 -44.66 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.516 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 131.54 59.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.54 125.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 1.7 t -45.04 162.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -134.78 133.95 40.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -58.8 163.83 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -40.49 -56.84 2.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.3 Cg_endo -74.99 54.97 3.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.465 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -174.35 33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 7.6 p -145.51 96.55 2.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.427 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.1 OUTLIER -143.6 171.2 14.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.641 ' CD2' ' O63' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -53.96 -165.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 72.12 -8.12 6.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.445 1.09 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 139' ' ' TYR . 2.5 mp0 -125.88 121.65 33.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.671 ' HA ' HD13 ' A' ' 145' ' ' LEU . 60.8 mttt -64.9 -2.63 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.565 ' O ' ' SG ' ' A' ' 30' ' ' CYS . . . -57.03 -22.75 41.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.684 HD11 ' O61' ' A' ' 178' ' ' NTS . 2.4 pt -89.03 -26.86 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.988 HD23 ' CD2' ' A' ' 108' ' ' TYR . 8.3 mp -72.92 93.39 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.617 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 9.8 m-85 -100.37 121.46 41.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -106.98 103.89 49.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.4 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.2 Cg_endo -74.99 135.56 19.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.803 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.83 ' O ' HD12 ' A' ' 149' ' ' LEU . 3.1 pp -131.31 66.66 79.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.881 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.96 167.24 27.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -171.91 51.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.9 t -58.18 85.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.3 t -150.8 81.87 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.987 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 178' ' ' NTS . . . . . 0.684 ' O61' HD11 ' A' ' 144' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE3' ' CA ' ' A' ' 27' ' ' LEU . 1.9 tptt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.798 HD11 HD11 ' A' ' 149' ' ' LEU . 1.0 OUTLIER -168.48 150.03 4.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.898 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -109.51 157.71 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.504 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 67.4 t80 -143.32 145.41 32.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -93.64 143.73 26.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 108.306 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 2.7 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 2.8 m80 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 74.4 m-85 -133.1 99.06 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.795 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -37.61 150.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.519 ' NH2' HG21 ' A' ' 48' ' ' THR . 6.1 ptp180 -146.82 144.32 29.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.82 HD12 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -118.1 116.23 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.701 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -87.12 142.13 33.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.04 8.39 2.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.84 -28.09 16.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.22 24.94 3.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.701 ' HB ' HD12 ' A' ' 40' ' ' LEU . 2.3 m -125.68 145.34 50.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.82 HG13 HD12 ' A' ' 39' ' ' ILE . 2.1 t -118.07 169.64 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.446 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER 172.41 -171.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.622 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -135.89 142.69 14.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.519 HG21 ' NH2' ' A' ' 38' ' ' ARG . 21.9 m -117.12 124.72 49.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.499 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -43.12 -26.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.237 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -152.47 118.01 5.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.62 120.59 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 179.9 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.495 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 3.0 t0 -142.52 -176.65 4.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.437 ' NE2' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -54.62 -45.01 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 7.8 m-70 -168.9 103.17 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.567 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -106.61 16.74 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 151.47 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 37' ' ' LEU . 9.7 mt -141.15 170.57 15.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 5.2 tp-100 -176.93 142.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.969 HD23 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -109.91 160.65 16.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' TYR . 3.3 t -144.87 55.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.623 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -41.41 131.86 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.793 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -124.16 -0.88 8.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.538 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 159.6 136.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.43 141.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 67.71 11.04 59.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.722 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.7 tt0 -163.51 101.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.851 ' O ' HD23 ' A' ' 98' ' ' LEU . 25.2 m -131.11 167.48 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.548 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 22.6 m-85 -115.87 165.34 13.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 59' ' ' GLN . 6.0 mt -147.71 127.68 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.661 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -134.52 114.51 12.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.661 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 6.3 t -66.78 71.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 73' ' ' THR . 2.1 t -38.13 109.96 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.427 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.594 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.4 mm-40 168.56 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.08 -24.18 9.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.43 47.37 1.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 1.1 mt-30 -109.61 115.37 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 43.7 m-85 -85.79 118.29 25.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.038 HD11 HD23 ' A' ' 87' ' ' LEU . 8.9 tp -59.84 106.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -130.42 176.76 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.594 ' CE ' HD12 ' A' ' 87' ' ' LEU . 1.2 ttt -139.02 105.77 5.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.623 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 22.7 m-20 -64.52 166.69 8.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 78.1 m -51.77 -20.41 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.07 -11.88 61.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.461 ' O ' ' CE ' ' A' ' 81' ' ' MET . . . 72.3 21.42 79.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.788 HD12 ' HD3' ' A' ' 133' ' ' ARG . 4.8 tt -111.18 122.67 48.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.038 HD23 HD11 ' A' ' 79' ' ' LEU . 1.5 mp -46.88 126.55 8.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.3 p90 -148.39 169.21 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -91.36 149.76 20.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.53 112.64 6.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 0.726 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -3.72 26.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.439 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 7.5 p -115.15 99.51 52.42 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.06 102.04 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.8 OUTLIER -157.07 -153.18 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.68 69.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' ASN . 3.8 tt0 -179.11 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.525 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -72.79 -33.3 66.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 68' ' ' VAL . 2.3 mt -52.31 170.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -150.54 98.0 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.47 HD23 ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -41.85 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 68' ' ' VAL . 17.9 tt0 -112.35 143.41 43.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.752 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -142.8 -95.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -175.87 119.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.536 ' HG3' HD21 ' A' ' 145' ' ' LEU . 5.0 tp10 -97.02 -46.48 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -120.66 -103.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.574 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.8 t30 -167.36 47.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 13.9 m170 -172.04 -64.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.591 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.597 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 8.6 m-85 -59.72 -156.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.573 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 7.6 m120 -163.69 77.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 104' ' ' GLU . 71.2 p -68.36 110.37 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.969 ' OH ' HD23 ' A' ' 60' ' ' LEU . 12.2 m-85 -86.48 -168.5 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.752 HD12 ' NH2' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -160.68 114.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.469 ' OG ' ' ND1' ' A' ' 116' ' ' HIS . 31.7 t -37.62 95.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 112' ' ' ILE . 1.2 tttm -59.72 -15.53 20.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.472 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -78.52 -19.73 52.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.623 ' CE1' ' O ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -153.87 55.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.2 -21.18 60.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -63.07 -17.86 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -110.74 0.03 17.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.1 m120 53.73 50.9 16.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.788 ' HA ' HG23 ' A' ' 137' ' ' THR . 39.9 m0 -85.44 81.11 8.86 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CD2' HD12 ' A' ' 144' ' ' ILE . 16.5 m-85 -55.96 179.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.721 HG23 HD11 ' A' ' 87' ' ' LEU . 7.1 p -113.88 96.47 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 131' ' ' CYS . . . -148.25 -176.57 21.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.674 HD11 ' HG ' ' A' ' 37' ' ' LEU . 1.1 mp -142.81 126.81 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 128' ' ' ASN . 6.6 tttt -36.46 128.34 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.476 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.85 59.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 126' ' ' LYS . 2.8 m120 -150.05 -44.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 135.63 64.31 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 m 169.92 114.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.454 ' HB2' HD23 ' A' ' 125' ' ' LEU . 1.2 t -58.41 -178.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 -167.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.788 ' HD3' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -170.12 110.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.545 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 94.17 -143.37 16.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.503 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.04 93.28 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 169.39 41.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.788 HG23 ' HA ' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -148.95 59.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -120.56 130.78 54.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.711 ' CB ' HD11 ' A' ' 144' ' ' ILE . 5.3 p90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.711 HD11 ' CB ' ' A' ' 139' ' ' TYR . 2.4 pt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.597 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 1.1 mt -52.88 91.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.898 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.8 m-85 -88.98 119.89 29.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.52 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -102.37 106.83 50.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 134.29 17.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.798 HD11 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -133.99 63.94 64.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.885 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.05 164.9 32.35 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 1.8 tptt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.482 HD21 ' NH2' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -163.24 129.53 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.37 162.18 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' HD1' ' CZ ' ' A' ' 36' ' ' PHE . 59.3 t80 -153.39 129.9 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 151.94 39.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.417 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 5.6 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 62.3 m-85 -137.69 102.95 4.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' HG ' HD21 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -38.42 145.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.49 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.3 OUTLIER -143.86 123.81 13.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.882 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.9 OUTLIER -110.55 146.47 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.682 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -114.2 138.14 22.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.48 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.02 7.28 2.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.04 -43.33 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.41 49.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.503 HG22 HD23 ' A' ' 40' ' ' LEU . 1.9 m -149.95 164.59 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 110.394 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.523 HG11 HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -149.25 158.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -175.84 -159.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.18 146.84 17.56 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.49 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.1 m -126.24 129.13 48.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.737 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.24 -44.16 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 51' ' ' ARG . 4.4 m-20 -134.26 107.66 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -34.31 123.0 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 179.75 69.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . 13.4 t0 -141.08 -176.03 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.724 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 3.4 mp0 -55.69 -45.82 77.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.507 ' CE1' ' HG3' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -166.28 102.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.61 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.844 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -107.29 6.28 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' NE2' ' CE1' ' A' ' 55' ' ' HIS . 2.4 mt-30 -48.9 149.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 56' ' ' ILE . 0.9 OUTLIER -144.87 177.52 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 70' ' ' ILE . 17.8 tp60 -175.79 153.47 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.828 HD23 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -120.27 158.67 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.3 t -145.57 49.83 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.651 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -37.95 126.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.434 ' HG2' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.73 -2.32 12.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.305 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 166.23 176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 65' ' ' VAL . 4.0 m -74.13 152.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.671 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 49.85 24.13 5.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.839 ' HG2' HD12 ' A' ' 98' ' ' LEU . 5.0 tt0 -172.2 109.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 62' ' ' ALA . 9.5 m -136.76 168.5 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.973 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 17.2 m-85 -111.21 170.43 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.531 HG22 ' HB2' ' A' ' 79' ' ' LEU . 13.3 mt -155.92 128.13 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.744 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -135.23 126.49 28.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.882 ' CB ' HG21 ' A' ' 39' ' ' ILE . 4.5 t -70.93 90.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.487 HG21 ' OE1' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -49.67 90.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.507 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 2.5 tt0 -171.02 -70.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.48 HG21 ' HB3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -114.78 -42.31 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.461 ' HA2' ' HZ3' ' A' ' 71' ' ' LYS . . . 136.04 49.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.453 1.095 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.546 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 2.3 mt-30 -105.3 115.65 30.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 49.0 m-85 -87.05 128.03 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.622 HD11 HD23 ' A' ' 87' ' ' LEU . 8.4 tp -69.75 109.93 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -130.54 172.28 12.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ttm -135.73 119.36 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -75.9 -177.09 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.9 m -62.48 -12.5 22.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -89.91 -1.99 58.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.489 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 63.13 14.6 54.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -93.35 107.85 19.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.622 HD23 HD11 ' A' ' 79' ' ' LEU . 5.5 mp -39.34 128.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 4.2 p90 -150.21 166.21 30.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -80.86 153.49 34.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.117 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.66 113.24 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.95 2.66 16.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.6 p -115.18 96.18 44.6 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.461 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.95 101.57 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.56 ' O ' HD23 ' A' ' 98' ' ' LEU . 1.3 m-80 -164.37 -150.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.54 59.92 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' ASN . 3.9 tt0 -167.83 -41.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -84.3 -19.95 32.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.973 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 2.9 mm? -64.14 167.36 6.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.497 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -146.91 97.44 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.671 HD23 ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -41.94 101.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.556 ' OE1' HG11 ' A' ' 68' ' ' VAL . 3.6 tm-20 -112.45 143.2 43.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.596 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -140.49 -98.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -178.37 121.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 104' ' ' GLU . 4.4 tp10 -96.93 -61.56 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -103.13 -109.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.608 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 7.3 m120 -161.63 45.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 19.5 m170 -167.69 -60.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.625 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.612 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 6.4 m-85 -66.74 -154.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.622 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 67.6 m-20 -169.93 86.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.482 ' CG2' HG13 ' A' ' 144' ' ' ILE . 75.6 p -71.42 124.19 24.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.363 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.828 ' OH ' HD23 ' A' ' 60' ' ' LEU . 13.5 m-85 -99.24 -173.38 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.734 HD11 ' CE1' ' A' ' 122' ' ' PHE . 1.2 mt -159.47 134.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.461 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 9.9 t -47.43 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.476 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 1.8 tttm -63.98 -16.86 62.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.664 ' CE ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -73.89 -17.9 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.664 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -172.93 66.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.509 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -74.86 -13.99 60.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.32 -15.68 11.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.564 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -105.11 1.05 28.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 137' ' ' THR . 29.0 m120 59.25 41.14 20.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 41.3 m0 -76.43 104.71 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.734 ' CE1' HD11 ' A' ' 112' ' ' ILE . 15.2 m-85 -86.75 174.89 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.588 HG23 HD21 ' A' ' 87' ' ' LEU . 7.8 p -111.98 63.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.31 133.08 10.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -99.04 122.42 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 125' ' ' LEU . 50.9 tttt -35.98 131.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.518 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -69.34 58.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 126' ' ' LYS . 2.6 m120 -148.36 -45.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 136.52 67.31 0.06 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 t 175.27 133.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.966 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.43 170.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.64 168.08 9.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.5 OUTLIER -106.15 141.84 36.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.621 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.06 -56.8 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.07 49.63 2.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.1 38.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -123.3 66.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.493 ' ND1' ' N ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER -133.49 135.46 44.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.6 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.673 ' CB ' HD11 ' A' ' 144' ' ' ILE . 26.8 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.673 HD11 ' CB ' ' A' ' 139' ' ' TYR . 2.3 pt . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.662 HD23 ' N ' ' A' ' 145' ' ' LEU . 0.7 OUTLIER -53.06 91.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 123' ' ' VAL . 2.1 m-30 -92.19 120.5 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.497 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.7 OUTLIER -101.69 107.74 52.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 125.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.033 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.2 pp -130.67 68.53 81.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.846 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.98 165.0 32.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.846 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HG3' ' CA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.893 ' HG ' HD11 ' A' ' 149' ' ' LEU . 2.2 pp -148.74 111.46 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -53.57 158.0 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.495 ' HD1' ' CZ ' ' A' ' 36' ' ' PHE . 43.5 t80 -146.45 131.64 18.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -71.56 128.06 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.6 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 30.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.458 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 63.8 m80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.587 ' CE2' ' HG3' ' A' ' 51' ' ' ARG . 52.5 m-85 -137.04 102.68 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.78 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -44.72 162.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.09 172.0 16.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.586 HD13 ' HB3' ' A' ' 72' ' ' SER . 0.2 OUTLIER -149.94 112.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.827 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -88.47 140.59 30.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 8.91 2.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -94.42 -30.61 14.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.28 30.99 1.61 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.827 ' HB ' HD12 ' A' ' 40' ' ' LEU . 2.9 m -130.2 145.06 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 46' ' ' ASP . 3.0 t -120.99 171.97 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.553 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.46 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.629 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -136.46 138.99 10.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' PHE . 1.2 m -111.33 126.18 54.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -52.75 -46.38 67.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 51' ' ' ARG . 3.4 m-20 -128.13 100.22 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.587 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -30.93 118.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t 179.45 69.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -139.96 -173.57 3.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.477 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -58.03 -43.21 86.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.477 ' N ' HE21 ' A' ' 54' ' ' GLN . 14.1 m-70 -169.98 104.52 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.617 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.577 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -110.19 17.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -74.02 134.28 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 56' ' ' ILE . 3.7 mp -127.08 -177.68 4.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 70' ' ' ILE . 6.2 tp-100 -173.13 150.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.59 HD23 HG12 ' A' ' 70' ' ' ILE . 0.6 OUTLIER -109.42 163.82 13.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.8 t -145.5 54.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.043 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . . . -39.35 126.6 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.961 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -119.0 -0.88 11.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.76 135.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -43.13 135.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.53 -2.78 61.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.82 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.2 tt0 -149.96 103.72 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 0.801 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.896 ' O ' HD23 ' A' ' 98' ' ' LEU . 28.4 m -128.12 163.97 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.523 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 10.5 m-85 -116.71 169.9 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.668 HD12 ' CD2' ' A' ' 99' ' ' PHE . 87.1 mt -146.46 128.0 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -137.57 108.55 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.586 ' HB3' HD13 ' A' ' 39' ' ' ILE . 4.9 t -65.48 88.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 73' ' ' THR . 12.9 t -59.62 100.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 75' ' ' THR . 10.7 pt-20 -176.82 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 4.4 t -122.39 -32.94 3.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.54 46.79 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.14 122.03 42.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 52.4 m-85 -83.9 152.38 24.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.572 ' HB2' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -93.26 127.34 38.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -147.23 -166.5 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.481 ' HE2' ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -152.36 93.64 1.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.596 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 63.1 m-20 -46.59 171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.576 HG23 ' NE2' ' A' ' 116' ' ' HIS . 1.5 m -71.61 -10.96 60.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.28 -5.78 53.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.481 ' O ' ' HE2' ' A' ' 81' ' ' MET . . . 76.15 20.71 77.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.533 HD23 ' N ' ' A' ' 87' ' ' LEU . 2.6 tt -113.0 122.22 46.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.533 ' N ' HD23 ' A' ' 86' ' ' LEU . 3.0 mp -50.15 125.78 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -150.82 166.05 31.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.01 147.59 17.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.7 t -135.4 148.32 49.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.54 0.74 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.471 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.0 p -117.84 88.75 31.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.485 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -74.97 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -153.02 -151.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.33 69.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 94' ' ' ASN . 22.1 tt0 179.99 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.572 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.0 t -80.56 -32.7 36.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.961 HD21 ' HG2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -53.21 175.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.712 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -152.58 122.34 6.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 100.94 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.8 OUTLIER -80.21 134.11 36.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.567 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.5 OUTLIER -144.48 74.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.567 ' C ' ' O ' ' A' ' 102' ' ' ARG . 14.1 tp -27.34 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -57.07 -42.98 81.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.6 tt0 -130.23 -105.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 6.1 t30 -138.36 38.43 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.688 ' HB3' HD23 ' A' ' 147' ' ' LEU . 13.2 m-70 179.99 -67.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 1.014 ' CD2' HD23 ' A' ' 145' ' ' LEU . 10.4 m-85 -53.58 102.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 15.3 m-20 -82.86 65.8 8.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.8 p -48.39 97.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 101' ' ' GLU . 12.2 m-85 -81.53 -174.48 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.999 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -166.82 125.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 112' ' ' ILE . 11.2 t -35.44 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 112' ' ' ILE . 25.7 tttm -56.71 -18.6 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -90.61 -2.22 57.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.772 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 11.8 m-70 -152.94 39.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.605 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.2 -16.36 62.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.74 -25.39 53.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.3 -2.88 32.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 66.67 25.14 9.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.772 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 22.8 m0 -62.94 82.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.037 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.999 ' CE1' HD11 ' A' ' 112' ' ' ILE . 15.7 m-85 -60.73 -171.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 123' ' ' VAL . 3.8 p -128.42 19.68 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.429 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -85.98 113.44 3.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.78 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -68.26 120.79 14.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.627 ' O ' ' N ' ' A' ' 128' ' ' ASN . 1.5 tttt -20.89 114.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.26 61.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.6 t-20 -150.56 -41.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.458 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.63 69.1 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.72 135.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 132' ' ' LYS . 42.1 t -52.49 157.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.443 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 0.8 OUTLIER -126.31 159.14 33.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.472 ' CB ' ' HD2' ' A' ' 135' ' ' PRO . 0.3 OUTLIER -92.8 154.17 18.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -44.24 -50.51 7.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.3 Cg_endo -75.01 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 170.4 39.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 2.7 p -140.27 104.58 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.425 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.584 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -145.64 -177.02 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.427 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.629 HD12 ' CE2' ' A' ' 122' ' ' PHE . 19.9 pt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 1.014 HD23 ' CD2' ' A' ' 108' ' ' TYR . 4.7 mp -65.98 111.83 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.485 ' CE1' HD12 ' A' ' 37' ' ' LEU . 17.6 m-85 -124.44 126.03 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' ' 107' ' ' HIS . 2.3 tm? -117.22 105.27 49.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.62 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.4 Cg_endo -74.95 137.38 21.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.893 HD11 ' HG ' ' A' ' 27' ' ' LEU . 3.0 pp -123.14 79.04 52.02 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.882 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.1 Cg_endo -75.07 -178.6 4.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CE ' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CE ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -167.27 157.52 11.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.14 151.14 22.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.462 ' HB2' ' CD2' ' A' ' 149' ' ' LEU . 90.0 t80 -132.37 127.3 35.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.13 148.44 26.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 108.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.475 ' HA ' ' O ' ' A' ' 48' ' ' THR . 56.1 m80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 50' ' ' ASP . 51.4 m-85 -109.77 97.67 7.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.675 ' HG ' HD21 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -37.44 133.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.738 ' NH2' HG21 ' A' ' 48' ' ' THR . 3.8 ptp180 -131.7 169.21 16.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.536 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -140.28 116.78 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.715 HD12 HG22 ' A' ' 44' ' ' THR . 0.9 OUTLIER -85.22 141.51 37.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.575 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.97 10.85 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.819 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.56 -28.62 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.57 17.68 4.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.715 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.05 128.33 51.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.392 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.543 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -106.99 166.72 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.649 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 169.85 -172.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.813 ' HA3' HD22 ' A' ' 125' ' ' LEU . . . -128.1 151.12 18.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.738 HG21 ' NH2' ' A' ' 38' ' ' ARG . 27.7 m -125.95 122.85 37.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' THR . 2.2 ttt-85 -35.92 -34.29 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.58 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -152.37 116.29 4.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.555 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -24.68 94.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.1 p -125.69 40.2 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.694 ' HB3' HG22 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -143.56 144.4 31.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.525 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 0.6 OUTLIER -63.02 -10.22 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CE1' ' HD3' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -143.67 92.95 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.61 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.694 HG22 ' HB3' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -129.85 6.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' HD13 ' A' ' 56' ' ' ILE . 50.7 mt-30 -75.15 154.67 37.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -145.62 171.74 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 1.7 tp60 -164.66 138.39 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.735 HD12 ' H ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -101.56 160.83 14.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.36 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.431 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.4 t -146.93 50.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -38.72 124.9 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.56 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -114.5 -1.95 13.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.79 178.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.437 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -81.28 150.57 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 100' ' ' LEU . . . 57.99 21.43 45.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.868 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.2 pm0 -175.2 121.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.586 HG12 ' CB ' ' A' ' 62' ' ' ALA . 19.8 m -139.9 165.51 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.851 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 16.0 m-85 -103.09 176.28 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.518 ' CG1' ' O ' ' A' ' 69' ' ' TYR . 10.4 mt -157.88 127.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -136.63 125.15 23.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.536 ' CB ' HG21 ' A' ' 39' ' ' ILE . 47.8 t -80.12 72.35 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 73' ' ' THR . 12.9 t -37.37 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 72' ' ' SER . 0.9 OUTLIER 173.05 -51.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 76' ' ' GLY . 70.5 p -97.83 -110.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.424 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -172.2 58.16 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.99 154.55 24.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 0.739 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 5.2 m-85 -113.5 134.72 54.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.515 ' HB2' HG22 ' A' ' 70' ' ' ILE . 7.2 tp -46.89 146.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.526 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -165.5 176.15 8.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.926 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.26 113.75 8.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -72.0 178.57 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.1 m -61.1 -13.71 19.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.75 12.87 11.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.468 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 46.57 27.16 2.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -107.55 110.15 21.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.747 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.926 HD12 ' HG3' ' A' ' 81' ' ' MET . 3.0 mp -39.72 136.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.469 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.0 p90 -163.19 146.93 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -79.81 142.01 24.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.34 122.6 22.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -0.08 19.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.098 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.405 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 9.2 p -115.06 94.84 40.08 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.478 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.0 105.43 2.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.768 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.581 ' O ' HD23 ' A' ' 98' ' ' LEU . 1.1 m-80 -161.11 -153.68 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.98 67.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.479 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 20.8 tt0 -175.08 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.526 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.7 t -65.17 -26.53 68.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 108.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.868 HD12 ' HB2' ' A' ' 67' ' ' GLU . 1.9 mm? -51.71 163.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.424 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -144.35 104.82 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.642 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -53.21 96.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.568 ' HB2' HG22 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -89.48 163.05 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.516 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER 179.68 93.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.578 HD21 ' N ' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -31.04 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 102' ' ' ARG . 4.0 tm-20 -63.52 -58.2 7.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -101.34 -113.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.599 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 28.5 t30 -142.1 43.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 26.2 m-70 -175.0 -69.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.615 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 8.1 m-85 -47.2 176.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.627 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 16.3 m120 -143.73 61.25 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.486 ' CG2' HG13 ' A' ' 144' ' ' ILE . 40.7 p -48.91 129.5 17.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.627 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 2.8 m-85 -112.13 179.41 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.931 HD11 ' CZ ' ' A' ' 122' ' ' PHE . 11.1 mt -154.82 136.21 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.639 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 9.0 t -44.14 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.521 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -68.8 -9.15 49.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HG3' ' CB ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -83.83 -13.71 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.639 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -174.55 62.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.642 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -72.74 -4.57 32.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.85 -10.46 20.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.517 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.1 OUTLIER -115.39 5.35 14.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.447 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.3 OUTLIER 55.97 39.1 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.6 m0 -71.04 92.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 107.988 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.931 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 12.6 m-85 -75.52 178.09 6.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.632 HG23 HD21 ' A' ' 87' ' ' LEU . 14.1 p -118.89 95.7 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -145.54 174.4 25.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.813 HD22 ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -135.29 118.05 16.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 128' ' ' ASN . 2.9 tttt -33.65 128.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.09 58.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.0 OUTLIER -149.14 -44.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 138.78 66.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.84 128.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 109.989 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.06 -177.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 108.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.94 173.75 6.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' GLY . 2.6 ttt180 -109.92 152.25 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.59 -58.18 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.499 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.98 51.9 2.91 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.46 38.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -127.05 63.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.406 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.496 ' ND1' ' N ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER -132.74 131.12 40.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.601 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.687 ' CB ' HD11 ' A' ' 144' ' ' ILE . 9.0 p90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.687 HD11 ' CB ' ' A' ' 139' ' ' TYR . 2.2 pt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.682 HD23 ' N ' ' A' ' 145' ' ' LEU . 1.7 mt -49.81 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.671 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 1.4 m-85 -91.94 119.53 31.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.51 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -106.7 108.83 62.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.7 24.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.585 1.834 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.504 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.4 pp -134.11 62.92 59.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.809 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 167.2 27.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.524 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -139.04 107.04 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -88.09 129.35 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -121.59 130.28 53.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -75.93 135.81 40.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.293 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 48' ' ' THR . 71.0 m80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 15.2 m-85 -119.04 105.21 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.668 ' HB3' HD11 ' A' ' 58' ' ' LEU . 5.9 mt -41.95 145.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -139.56 -176.68 4.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.699 HD13 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -165.95 139.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.73 HD23 HG22 ' A' ' 44' ' ' THR . 0.5 OUTLIER -108.47 141.38 23.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.478 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.02 5.19 4.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.08 -48.57 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.96 44.8 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.153 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.73 HG22 HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -144.71 168.52 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.434 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.561 HG11 HD11 ' A' ' 79' ' ' LEU . 1.4 t -146.91 164.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.456 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -176.58 -162.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.63 131.34 6.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.445 ' N ' ' HD2' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -91.06 145.01 25.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.12 -19.0 24.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.6 m-20 -150.82 91.85 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.601 ' CD ' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -30.88 94.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.0 t 178.66 66.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -133.51 -176.16 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.563 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -40.24 -49.09 2.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.563 ' N ' HE21 ' A' ' 54' ' ' GLN . 5.4 m-70 -177.15 101.08 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.647 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -102.58 4.14 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.446 ' N ' HD13 ' A' ' 56' ' ' ILE . 3.9 mp0 -52.8 163.25 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 37' ' ' LEU . 21.5 mt -157.15 175.7 13.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -171.53 120.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.516 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -87.13 162.72 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' ALA . 24.9 t -147.62 57.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -38.56 125.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.537 ' CG ' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -119.79 2.31 11.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER 162.86 125.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -41.77 140.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.568 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 77.38 5.9 86.03 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.68 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.3 tt0 -169.46 105.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.829 ' O ' HD23 ' A' ' 98' ' ' LEU . 29.9 m -121.82 171.17 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 4.9 m-85 -114.68 169.01 9.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.756 HD12 ' HD2' ' A' ' 99' ' ' PHE . 94.8 mt -146.24 126.18 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -132.8 101.09 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.56 ' CB ' HG21 ' A' ' 39' ' ' ILE . 15.0 t -56.35 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 73' ' ' THR . 4.5 t -58.01 107.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 23.9 tp10 168.67 -41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.478 HG21 ' HB3' ' A' ' 41' ' ' PRO . 1.8 t -149.47 47.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.13 75.48 0.07 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.5 OUTLIER -134.51 134.31 41.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.281 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 34.1 m-85 -109.74 118.43 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.728 ' HG ' HD23 ' A' ' 87' ' ' LEU . 7.8 tp -68.09 127.82 34.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.667 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -150.08 -176.87 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.576 ' SD ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -137.66 119.53 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.603 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 69.2 m-20 -77.26 174.9 10.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -63.57 -12.34 32.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.75 -3.27 46.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 70.21 5.97 55.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -102.25 111.37 23.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.728 HD23 ' HG ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -39.67 138.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.603 ' CE2' ' OD1' ' A' ' 82' ' ' ASP . 1.5 p90 -152.12 176.6 11.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.595 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -92.38 149.06 19.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.92 112.16 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -5.77 29.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -115.32 98.83 51.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.02 102.9 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.1 m-80 -161.91 -148.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -67.67 63.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 21.9 tt0 -170.6 -44.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.667 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 4.2 t -78.73 -35.46 44.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -48.56 173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.756 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -153.71 104.72 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -51.14 97.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 7.6 tt0 -88.75 143.94 26.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -165.01 86.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.8 OUTLIER -28.35 97.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.0 tm-20 -58.23 -51.27 70.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.483 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.3 tt0 -101.18 -104.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.593 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 1.3 t-20 -149.99 34.51 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 18.4 m170 -168.58 -63.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.582 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 13.1 m-85 -60.06 160.27 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.614 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 14.1 m-20 -128.16 84.17 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.485 ' CG2' HG13 ' A' ' 144' ' ' ILE . 76.2 p -70.29 104.38 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 10.0 m-85 -84.98 178.41 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.454 HG21 ' HB1' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -152.7 148.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.534 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 46.2 t -56.91 86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' ILE . 1.3 tmtm? -52.03 -24.26 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.63 ' CE ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.18 -38.8 92.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.63 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -152.92 65.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.572 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.454 ' HB1' HG21 ' A' ' 112' ' ' ILE . . . -73.85 -3.99 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -60.21 -14.6 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 1.4 tttt -112.67 4.8 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.37 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER 61.4 20.73 11.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 35.7 m0 -54.32 92.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 108.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.653 ' CE1' HD12 ' A' ' 144' ' ' ILE . 9.1 m-85 -71.95 -172.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.707 HG23 HD11 ' A' ' 87' ' ' LEU . 7.6 p -119.59 25.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.545 ' HA3' HG22 ' A' ' 144' ' ' ILE . . . -65.17 -158.53 0.38 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.831 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -170.27 108.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.563 ' O ' ' N ' ' A' ' 128' ' ' ASN . 32.7 tttt -28.78 128.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.5 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.61 60.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 126' ' ' LYS . 19.7 m120 -147.84 -43.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 133.94 70.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 170.25 142.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.777 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.96 169.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.635 ' CB ' HG23 ' A' ' 137' ' ' THR . 5.1 mttt -103.72 153.94 20.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -88.57 145.91 25.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.616 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.11 -62.3 0.73 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.0 Cg_endo -75.01 52.29 3.02 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.24 39.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.635 HG23 ' CB ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -126.82 51.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -120.54 135.42 55.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.56 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.72 ' HB2' HD11 ' A' ' 144' ' ' ILE . 9.3 p90 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.72 HD11 ' HB2' ' A' ' 139' ' ' TYR . 3.3 pt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.757 HD23 ' N ' ' A' ' 145' ' ' LEU . 0.2 OUTLIER -59.36 93.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.586 ' HB3' HD21 ' A' ' 28' ' ' LEU . 4.0 m-85 -89.81 125.46 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.45 HD22 ' HD2' ' A' ' 148' ' ' PRO . 0.7 OUTLIER -105.6 104.48 48.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.45 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -74.99 121.35 6.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.615 HD11 HD21 ' A' ' 27' ' ' LEU . 1.2 pp -133.89 67.07 73.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 18.2 Cg_endo -75.0 178.63 7.01 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 150' ' ' PRO . 5.1 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HG3' ' CA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -150.0 102.26 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.942 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -55.12 170.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.779 ' H ' HD23 ' A' ' 28' ' ' LEU . 4.2 t80 -172.8 148.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.628 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 14.4 m -72.82 160.25 32.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 108' ' ' TYR . 34.3 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 1.2 m80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.65 ' CD2' ' HB2' ' A' ' 29' ' ' TYR . 38.9 m-85 -119.14 99.12 6.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.824 ' HG ' HD11 ' A' ' 125' ' ' LEU . 4.5 mt -34.29 142.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.514 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 2.7 ptp180 -141.99 148.06 37.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -126.46 115.81 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.638 HD12 HG22 ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.26 141.87 35.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.02 9.19 2.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -93.41 -27.94 16.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.84 14.99 5.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 40' ' ' LEU . 1.1 m -120.44 133.01 55.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -111.27 166.43 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.588 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 175.8 -172.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.732 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -133.6 140.76 12.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.511 HG21 ' NH2' ' A' ' 38' ' ' ARG . 3.5 m -115.4 126.5 54.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -38.81 -39.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.565 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 54.2 m-20 -143.51 120.0 11.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.599 ' HD3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -35.23 119.71 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 179.49 70.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.514 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 8.1 t0 -144.93 -176.17 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.634 ' NE2' ' H ' ' A' ' 55' ' ' HIS . 2.6 pm0 -56.86 -37.49 71.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.634 ' H ' ' NE2' ' A' ' 54' ' ' GLN . 2.6 m-70 -179.5 109.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -105.55 17.69 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -46.42 146.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -151.82 166.78 30.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -179.77 143.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.544 HD13 ' OH ' ' A' ' 111' ' ' TYR . 1.2 mt -100.93 161.59 13.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.8 t -146.1 53.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.043 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.98 125.99 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.681 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -118.32 -0.25 11.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.97 129.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.409 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -40.68 138.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.59 -7.31 58.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.703 ' HG2' HD13 ' A' ' 98' ' ' LEU . 3.1 tt0 -153.05 104.24 2.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.823 ' O ' HD23 ' A' ' 98' ' ' LEU . 35.2 m -125.94 162.9 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.477 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 12.2 m-85 -111.32 167.3 10.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.903 HD12 ' CD2' ' A' ' 99' ' ' PHE . 89.4 mt -144.41 128.93 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.3 OUTLIER -135.33 134.3 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.551 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 31.3 t -87.63 71.49 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 73' ' ' THR . 14.8 t -40.57 95.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' SER . 26.8 tp10 176.77 -48.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' GLY . 7.4 t -142.33 45.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.372 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.97 52.67 1.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.31 115.55 29.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 60.7 m-85 -95.96 146.96 24.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 79' ' ' LEU . 5.4 tp -89.31 144.86 25.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.722 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -167.2 173.85 8.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.977 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.08 117.45 10.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.594 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 37.1 m-20 -76.59 171.69 14.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 m -57.04 -16.52 7.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.6 8.03 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.484 ' O ' ' HE3' ' A' ' 81' ' ' MET . . . 53.35 19.19 8.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -98.18 104.11 16.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.977 HD12 ' HG3' ' A' ' 81' ' ' MET . 5.0 mp -38.57 134.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.594 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.4 p90 -162.62 165.07 26.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -119.41 164.46 13.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.64 155.32 29.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.746 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.16 3.43 17.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.238 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.8 p -116.11 90.21 27.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.456 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.0 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.456 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 2.1 m-80 -146.58 -172.27 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -37.98 -31.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.251 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 94' ' ' ASN . 25.1 tt0 -68.93 -61.08 1.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.722 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 8.9 t -56.46 -30.8 63.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.823 HD23 ' O ' ' A' ' 68' ' ' VAL . 1.4 mt -56.84 172.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.903 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -151.36 113.32 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.597 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -54.86 100.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' CD ' HG11 ' A' ' 68' ' ' VAL . 4.0 tt0 -62.5 166.46 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 104' ' ' GLU . 3.8 mtm180 179.49 91.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.5 OUTLIER -60.48 83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.617 ' HG3' HD21 ' A' ' 145' ' ' LEU . 0.6 OUTLIER -39.72 -47.65 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.509 ' HG2' ' CE1' ' A' ' 107' ' ' HIS . 0.8 OUTLIER -130.31 -100.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.588 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 3.0 t-20 -143.3 38.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.588 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -175.45 -65.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.631 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 31' ' ' SER . 6.2 m-85 -59.39 116.75 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.649 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 1.1 m120 -97.1 77.59 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.887 ' CG2' HD23 ' A' ' 145' ' ' LEU . 82.2 p -67.15 96.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.45 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 22.0 m-85 -79.13 -178.5 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.963 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.661 HD11 ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -160.95 132.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.614 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 6.1 t -37.45 105.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.597 ' HG2' HD12 ' A' ' 100' ' ' LEU . 3.0 tmtm? -70.7 -24.14 62.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.512 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -72.43 -8.75 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.614 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.85 67.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.496 ' CB ' HG23 ' A' ' 112' ' ' ILE . . . -77.82 -16.78 58.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.37 -15.95 12.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.2 OUTLIER -100.7 -3.01 31.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.2 OUTLIER 63.35 33.49 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.584 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 40.2 m0 -71.77 88.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.661 ' CD1' HD11 ' A' ' 112' ' ' ILE . 23.9 m-85 -69.51 -178.98 1.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 123' ' ' VAL . 7.4 p -116.99 13.84 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.419 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -89.56 104.43 3.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.824 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.79 116.99 4.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 0.791 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.97 125.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.456 ' HD3' ' C ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.3 59.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -134.58 -46.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.585 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.71 58.21 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 131' ' ' CYS . 2.1 m 169.15 125.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' SER . 6.7 t -43.31 163.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.279 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.474 ' HE2' ' CD ' ' A' ' 126' ' ' LYS . 8.5 mptt -134.22 141.93 47.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -65.48 161.71 19.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -37.53 -59.12 1.32 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.22 3.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.422 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -172.96 32.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 2.5 p -144.46 102.32 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.392 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.552 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -149.85 174.75 12.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.558 HG22 ' HB3' ' A' ' 122' ' ' PHE . 4.3 pt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.887 HD23 ' CG2' ' A' ' 110' ' ' THR . 12.1 mt -68.77 114.68 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.942 ' HB3' HD21 ' A' ' 28' ' ' LEU . 5.4 m-85 -119.6 126.87 52.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 149' ' ' LEU . 0.5 OUTLIER -115.87 98.83 51.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.81 22.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -126.48 82.15 66.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.893 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.6 Cg_endo -74.93 172.9 15.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.893 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HZ1' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.801 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.15 104.61 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.652 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -75.5 177.5 6.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.853 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 11.4 t80 -171.46 157.25 4.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.577 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 92.0 m -79.95 126.93 31.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.616 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 9.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.616 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 2.2 m80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.853 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 12.3 m-85 -122.7 104.16 9.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.975 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -38.46 147.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.693 ' HD3' HD21 ' A' ' 40' ' ' LEU . 5.5 ptp180 -144.68 129.97 18.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.721 HD12 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -106.82 110.84 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.693 HD21 ' HD3' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -86.95 142.34 34.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.95 7.58 2.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.46 -30.57 15.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.01 23.75 4.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.559 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.8 137.65 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.376 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.721 HG13 HD12 ' A' ' 39' ' ' ILE . 2.1 t -113.15 167.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 171.48 -171.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -138.6 138.83 9.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.446 ' C ' ' HB3' ' A' ' 35' ' ' HIS . 6.5 m -111.0 124.83 52.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.493 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -36.33 -54.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -133.55 106.75 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.646 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -24.02 131.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 p 179.76 48.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.927 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.559 ' HB3' HG23 ' A' ' 56' ' ' ILE . 5.1 t0 -121.57 -172.96 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 55' ' ' HIS . 3.0 pm0 -77.22 -30.34 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.435 ' N ' ' CD ' ' A' ' 54' ' ' GLN . 9.9 m-70 -169.4 103.54 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.608 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.815 ' C ' HD12 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -115.41 1.27 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.9 mt-30 -50.56 154.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.5 mp -144.86 179.95 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.8 OUTLIER -168.32 142.86 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.528 HD23 HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -109.83 160.42 16.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.9 t -142.74 52.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.635 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -40.23 127.89 2.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.634 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -119.44 -0.88 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 159.72 127.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' SER . 4.3 m -38.75 144.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 74.29 6.24 74.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.862 ' OE2' HD13 ' A' ' 98' ' ' LEU . 3.3 tt0 -169.61 106.07 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.878 ' O ' HD23 ' A' ' 98' ' ' LEU . 19.5 m -128.22 166.74 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.58 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 10.3 m-85 -112.64 167.49 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.528 HG12 HD23 ' A' ' 60' ' ' LEU . 63.1 mt -146.91 130.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -143.06 93.33 2.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 t -60.42 82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -49.01 106.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.419 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 172.09 -33.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 t -152.56 37.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 37.67 61.24 1.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.13 124.89 45.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 31.8 m-85 -100.11 121.99 42.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.574 HD22 HD11 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -62.24 135.07 57.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -153.34 179.2 8.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.439 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -146.35 113.23 6.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 85' ' ' GLY . 69.3 m-20 -71.78 175.63 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.463 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 20.7 m -54.3 -19.91 6.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.2 13.5 15.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.478 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 46.3 24.19 1.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -93.22 106.65 18.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LEU . 9.1 mp -39.03 118.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' A' ' 80' ' ' ALA . 3.8 p90 -140.95 166.62 24.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.3 155.13 16.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.73 143.56 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.21 5.3 17.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -116.23 92.0 34.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.45 ' HA ' ' CB ' ' A' ' 97' ' ' CYS . 18.3 Cg_endo -74.98 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' GLU . 3.0 m-80 -141.71 -174.12 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -38.06 -30.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' ASN . 28.8 tt0 -70.91 -54.18 12.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 6.0 t -56.75 -45.76 81.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 68' ' ' VAL . 1.6 mt -46.16 170.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.526 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.64 100.95 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.998 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -43.15 96.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' GLY . 6.5 tm-20 -110.83 149.03 31.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.84 HH21 HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -140.85 -91.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.62 124.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.972 ' OE1' HD21 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -102.91 -47.27 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.417 ' O ' HD22 ' A' ' 103' ' ' LEU . 1.7 tt0 -130.43 -139.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 3.0 t-20 -121.28 50.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.5 m170 179.65 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.972 ' CD2' HD23 ' A' ' 145' ' ' LEU . 5.3 m-85 -76.85 158.67 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.662 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 12.4 m120 -134.02 58.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.494 ' CG2' ' HG ' ' A' ' 145' ' ' LEU . 29.4 p -37.6 150.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.347 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.662 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -134.25 177.03 8.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.178 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.84 HD12 HH21 ' A' ' 102' ' ' ARG . 0.4 OUTLIER -156.95 125.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.641 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 23.0 t -36.0 107.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.711 ' HG2' HD12 ' A' ' 100' ' ' LEU . 4.1 tmtm? -68.36 -25.33 65.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.507 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -68.55 -8.99 46.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.641 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -178.8 68.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.602 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -83.92 6.35 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.66 -16.65 61.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.603 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -105.22 -2.97 23.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.475 ' HA ' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER 68.53 20.16 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.607 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 44.7 m0 -54.08 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.77 ' CE2' HD11 ' A' ' 112' ' ' ILE . 9.8 m-85 -79.06 175.48 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 123' ' ' VAL . 9.9 p -106.48 26.04 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.493 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -100.54 103.32 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.975 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -59.72 113.79 2.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 128' ' ' ASN . 17.0 tttt -24.6 116.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 63.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.638 ' N ' ' O ' ' A' ' 126' ' ' LYS . 8.7 t-20 -134.5 -44.68 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.616 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 122.47 64.92 0.22 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.421 ' HG ' ' HZ3' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 169.14 124.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.761 . . . . 0.0 110.063 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.423 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 5.7 t -49.94 145.62 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.486 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -122.59 169.49 10.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.95 -178.65 3.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -45.08 -63.15 2.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 54.26 3.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.486 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.2 OUTLIER 179.21 36.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 134' ' ' GLY . 1.7 t -158.83 100.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 139' ' ' TYR . 6.3 m80 -146.72 -171.66 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.611 ' CD1' ' CD1' ' A' ' 144' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.716 ' CG1' HD12 ' A' ' 145' ' ' LEU . 13.0 pt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.972 HD21 ' OE1' ' A' ' 104' ' ' GLU . 6.2 mp -74.94 112.19 10.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.827 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 4.7 m-85 -111.18 123.99 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.714 ' O ' HD23 ' A' ' 149' ' ' LEU . 1.0 OUTLIER -109.84 100.92 45.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.446 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.02 136.85 20.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -130.47 68.89 81.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.67 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.04 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' ' 150' ' ' PRO . 12.0 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.597 ' HZ1' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.457 ' HG ' HD11 ' A' ' 149' ' ' LEU . 2.3 pp -163.66 152.29 13.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.59 146.63 26.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 30.1 t80 -135.5 147.3 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.543 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -90.06 151.4 21.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.44 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 77.3 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 3.8 m80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 77.1 m-85 -125.9 101.53 6.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.025 HD23 HD21 ' A' ' 125' ' ' LEU . 4.8 mt -37.01 154.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.498 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 7.4 ptp180 -153.19 146.61 24.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.818 HD12 HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -123.05 119.3 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.69 HD12 HG22 ' A' ' 44' ' ' THR . 0.9 OUTLIER -87.05 141.72 33.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.02 7.79 2.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -90.48 -30.15 17.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.22 13.95 5.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.69 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -114.31 163.37 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.428 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.818 HG13 HD12 ' A' ' 39' ' ' ILE . 1.7 t -130.49 165.42 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.616 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 176.37 178.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.886 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -126.1 156.59 19.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 21.7 m -131.83 123.96 28.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.487 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -46.32 -24.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 48' ' ' THR . 1.6 m-20 -152.8 126.77 9.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.577 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -47.54 122.26 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.414 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.3 t 179.77 70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.3 t0 -150.49 168.7 23.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.26 -52.94 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.518 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 15.1 m-70 -159.31 99.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.5 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -103.69 26.91 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.569 ' C ' HD12 ' A' ' 58' ' ' LEU . 1.3 mp0 -85.41 132.17 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.597 ' N ' ' HZ1' ' A' ' 26' ' ' LYS . 5.1 mp -137.04 116.44 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.592 ' O ' HG23 ' A' ' 70' ' ' ILE . 8.8 tp-100 -104.65 160.87 14.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.571 HD22 ' OH ' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -111.08 158.44 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 11.7 t -143.03 51.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.559 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -39.82 123.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.724 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -114.3 -0.53 13.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 170.82 178.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.975 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -82.26 150.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.591 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 58.72 20.88 49.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.945 ' HB2' HD22 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -176.58 122.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.307 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 62' ' ' ALA . 16.7 m -139.76 173.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.578 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 19.5 m-85 -118.3 165.74 13.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 59' ' ' GLN . 95.5 mt -143.77 129.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HG2' ' CG ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -137.77 114.16 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 74' ' ' GLU . 11.1 t -65.96 88.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 73' ' ' THR . 15.0 t -50.83 90.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.518 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 171.01 -60.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.4 p -79.88 -117.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.67 57.79 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.461 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -159.93 171.98 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 0.805 . . . . 0.0 110.24 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 71' ' ' LYS . 6.0 m-85 -127.93 144.88 51.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.569 HD23 HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -54.13 146.74 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.518 ' H ' HD13 ' A' ' 79' ' ' LEU . . . -163.15 166.05 23.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.563 ' CE ' HG21 ' A' ' 137' ' ' THR . 0.0 OUTLIER -140.49 95.48 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.466 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 62.5 m-20 -49.86 174.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.554 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 24.1 m -63.82 -11.48 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.1 -6.26 59.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.57 ' HA3' ' CE3' ' A' ' 121' ' ' TRP . . . 68.51 22.15 74.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.41 HD12 HH11 ' A' ' 133' ' ' ARG . 5.2 tt -101.29 105.92 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.853 HD21 HG23 ' A' ' 123' ' ' VAL . 10.8 mp -41.61 123.96 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.466 ' CZ ' ' OD1' ' A' ' 82' ' ' ASP . 3.1 p90 -150.29 158.28 43.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -90.86 146.37 18.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.19 126.57 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.88 4.24 17.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.461 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 10.1 p -114.38 94.41 35.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.453 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -74.95 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.534 1.807 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.461 ' ND2' ' C ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -154.57 -156.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 66.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' ASN . 48.5 tt0 -176.06 -51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 78' ' ' TYR . 4.8 t -67.77 -39.16 84.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 108.262 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.945 HD22 ' HB2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -47.34 172.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.47 118.1 5.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.592 HD13 ' HB1' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -61.5 101.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 1.2 tm-20 -112.73 150.86 30.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.661 HH21 HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -147.41 -90.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.6 120.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.747 ' OE2' HD21 ' A' ' 145' ' ' LEU . 4.0 tm-20 -97.53 -41.46 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.7 tt0 -130.07 -104.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.572 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.1 t-20 -158.94 50.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 14.2 m-70 179.84 -62.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.727 ' CE2' HD23 ' A' ' 145' ' ' LEU . 29.7 m-85 -54.1 -167.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.42 ' ND2' ' OE2' ' A' ' 101' ' ' GLU . 25.6 m120 -158.65 54.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.498 ' CG2' HG13 ' A' ' 144' ' ' ILE . 65.8 p -47.2 100.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.571 ' OH ' HD22 ' A' ' 60' ' ' LEU . 8.9 m-85 -80.81 -173.0 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.929 HD11 ' CZ ' ' A' ' 122' ' ' PHE . 5.0 mt -159.38 114.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 112' ' ' ILE . 2.6 p -34.18 98.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' ILE . 13.7 tttm -56.13 -17.41 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -11.83 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.685 ' ND1' ' CZ3' ' A' ' 121' ' ' TRP . 0.9 OUTLIER -145.11 37.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.592 ' HB1' HD13 ' A' ' 100' ' ' LEU . . . -71.46 -19.53 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.49 -27.54 67.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -103.83 1.02 31.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 59.5 33.88 22.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.685 ' CZ3' ' ND1' ' A' ' 116' ' ' HIS . 28.7 m0 -67.42 73.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 107.965 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.929 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 14.0 m-85 -50.27 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.853 HG23 HD21 ' A' ' 87' ' ' LEU . 11.3 p -126.67 96.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.94 126.78 1.62 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 1.025 HD21 HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.12 120.76 21.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.44 123.47 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.1 60.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 126' ' ' LYS . 10.0 m120 -156.61 -43.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.554 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 138.94 70.83 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.38 139.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 51.6 t -86.93 156.23 19.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -109.72 158.01 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.41 HH11 HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -138.37 117.51 12.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.558 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 93.91 -142.43 16.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.455 ' HA ' ' NE1' ' A' ' 121' ' ' TRP . 18.2 Cg_endo -75.0 69.69 5.49 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.474 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 1.2 mpt_? -158.34 25.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.563 HG21 ' CE ' ' A' ' 81' ' ' MET . 2.6 t -141.75 77.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 139' ' ' TYR . 17.6 m80 -125.18 -179.28 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.498 HG13 ' CG2' ' A' ' 110' ' ' THR . 4.3 pt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.747 HD21 ' OE2' ' A' ' 104' ' ' GLU . 7.9 mp -67.78 101.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.72 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 8.0 m-85 -111.69 119.59 39.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.527 HD22 ' HD2' ' A' ' 148' ' ' PRO . 0.6 OUTLIER -106.42 102.32 40.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.527 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.2 Cg_endo -75.0 132.25 15.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 149' ' ' LEU . 2.9 pp -125.24 74.07 67.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.896 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.98 169.13 23.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' A' ' 149' ' ' LEU . 0.9 OUTLIER -148.42 122.14 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 1.1 mt -70.17 154.44 41.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.59 1.181 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.477 ' HB2' ' CD2' ' A' ' 149' ' ' LEU . 20.7 t80 -142.83 124.73 15.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 145' ' ' LEU . 0.1 OUTLIER -70.71 142.75 51.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.334 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 28.2 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 5.1 m80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 87.6 m-85 -127.7 105.37 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -41.29 141.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.522 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 2.5 ptp180 -139.96 147.26 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.596 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -132.02 149.76 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -109.32 145.65 32.29 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 2.69 6.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.57 -48.13 7.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.38 46.86 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.535 ' CG2' HD23 ' A' ' 40' ' ' LEU . 1.4 m -142.65 168.64 19.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.536 HG13 HG12 ' A' ' 39' ' ' ILE . 1.6 t -146.4 166.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 178.66 -170.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.842 ' HA3' HD22 ' A' ' 125' ' ' LEU . . . -129.89 160.24 22.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.507 HG21 HH21 ' A' ' 38' ' ' ARG . 24.9 m -140.64 122.66 15.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -51.51 -20.72 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -151.43 127.56 10.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 2.3 ptt180 -55.7 111.6 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 t 179.96 69.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.522 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.7 t0 -137.7 -173.14 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.727 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 3.3 mp0 -52.74 -45.16 66.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CE1' ' OE1' ' A' ' 74' ' ' GLU . 1.8 m-70 -175.82 96.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.626 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -99.19 11.18 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -57.35 134.89 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -131.97 175.87 8.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 1.5 tt0 -178.75 131.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.574 HD21 ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -90.94 160.82 15.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ALA . 9.1 t -145.16 55.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.22 125.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.823 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -117.25 -0.77 11.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 160.33 131.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.2 137.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.541 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 80.68 -7.5 58.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.87 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.9 tt0 -150.69 104.33 3.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.903 ' O ' HD23 ' A' ' 98' ' ' LEU . 33.2 m -124.36 165.32 21.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 9.1 m-85 -116.82 167.62 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.791 HD12 ' HD2' ' A' ' 99' ' ' PHE . 98.2 mt -143.91 126.72 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.648 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.7 OUTLIER -130.25 123.49 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.648 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 17.4 t -70.96 64.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 73' ' ' THR . 7.6 t -34.56 101.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.575 ' OE1' ' CE1' ' A' ' 55' ' ' HIS . 6.2 tp10 174.22 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -48.43 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.73 60.08 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -119.19 122.18 41.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 60.8 m-85 -100.09 112.29 24.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.522 HD13 ' H ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -46.82 157.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.685 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -178.44 170.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.492 ' HE2' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -137.76 124.15 20.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -79.19 176.25 9.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.521 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 21.0 m -58.17 -16.13 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.98 11.04 21.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.406 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 50.35 30.15 17.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 tt -104.88 112.05 25.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.492 HD12 ' HE2' ' A' ' 81' ' ' MET . 9.5 mp -42.14 128.52 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.464 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.3 p90 -152.06 149.91 29.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.23 144.38 16.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.81 160.28 41.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.045 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.86 38.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 68.0 p -145.96 92.9 5.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 97' ' ' CYS . 18.2 Cg_endo -75.05 89.07 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -128.16 -175.85 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.19 -34.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.4 ' OE2' ' OH ' ' A' ' 88' ' ' TYR . 18.1 tt0 -65.8 -61.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.685 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 18.0 m -49.43 -34.72 17.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.903 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.4 OUTLIER -55.89 171.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.791 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -149.92 101.18 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.774 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -49.59 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.08 145.16 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.422 ' NH2' ' CZ ' ' A' ' 122' ' ' PHE . 71.5 mtm180 -135.73 -100.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.53 122.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.608 ' HG2' HD11 ' A' ' 145' ' ' LEU . 3.7 tp10 -100.54 -46.68 5.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.447 ' CG ' ' HG3' ' A' ' 104' ' ' GLU . 1.9 mt-10 -121.43 -117.04 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.567 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 19.0 t30 -153.43 52.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 15.2 m170 -170.78 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 6.5 m-85 -70.61 -158.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.617 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 10.8 m120 -164.21 57.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 p -39.56 153.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -135.42 179.65 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.715 HD12 ' CE1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -154.91 133.14 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.577 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 6.5 t -40.2 100.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.774 ' HG2' HD12 ' A' ' 100' ' ' LEU . 3.5 tmtm? -64.81 -24.61 67.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.559 ' HE3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -67.64 -26.91 66.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.577 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -160.3 66.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.647 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.98 -1.23 24.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.59 -4.16 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -119.49 2.4 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.573 ' CA ' HD11 ' A' ' 112' ' ' ILE . 0.7 OUTLIER 57.13 37.0 28.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.904 ' HA ' HG23 ' A' ' 137' ' ' THR . 38.5 m0 -69.93 77.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.715 ' CE1' HD12 ' A' ' 112' ' ' ILE . 11.5 m-85 -61.19 179.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' ' 123' ' ' VAL . 8.3 p -120.03 100.17 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 144' ' ' ILE . . . -161.0 138.52 5.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.842 HD22 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -95.56 115.02 26.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 125' ' ' LEU . 6.2 tttt -24.6 125.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -64.76 60.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -155.58 -41.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.27 74.14 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 t 169.5 132.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 110.025 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.24 168.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -112.64 174.86 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.158 . . . . 0.0 109.249 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 134' ' ' GLY . 1.7 mmm180 -118.99 153.88 33.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.811 ' O ' HG22 ' A' ' 137' ' ' THR . . . -35.23 -64.03 0.51 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.98 51.67 2.84 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 168.63 41.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.904 HG23 ' HA ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -136.51 67.04 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.368 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -125.96 152.51 45.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.626 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.737 ' CD2' ' O ' ' A' ' 139' ' ' TYR . 40.4 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 139' ' ' TYR . 32.0 pt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.608 HD11 ' HG2' ' A' ' 104' ' ' GLU . 1.4 mp -58.53 92.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.483 ' CE2' ' O ' ' A' ' 123' ' ' VAL . 14.1 m-85 -107.42 119.07 38.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.661 HD23 ' N ' ' A' ' 148' ' ' PRO . 4.5 tt -111.35 124.01 33.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.661 ' N ' HD23 ' A' ' 147' ' ' LEU . 18.4 Cg_endo -74.95 131.46 14.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -130.24 64.33 72.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.722 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 165.04 32.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.454 1.766 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 150' ' ' PRO . 6.3 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HE3' ' CA ' ' A' ' 27' ' ' LEU . 1.1 tptt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.636 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -175.23 139.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.024 HD21 ' HB3' ' A' ' 146' ' ' PHE . 1.8 tt -96.47 160.38 14.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.797 ' H ' HD23 ' A' ' 28' ' ' LEU . 51.2 t80 -153.89 151.94 30.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.463 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 2.9 m -103.77 149.87 24.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 108' ' ' TYR . 1.4 p . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 7.4 m80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CD1' ' HA ' ' A' ' 50' ' ' ASP . 17.6 m-85 -127.36 91.34 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.789 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -33.52 146.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.615 HH21 HG21 ' A' ' 48' ' ' THR . 10.7 ptp180 -138.76 153.05 48.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.793 HD11 HD13 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -130.34 114.47 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.621 HD12 HG22 ' A' ' 44' ' ' THR . 0.5 OUTLIER -90.72 138.89 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.665 ' CD ' ' CD2' ' A' ' 55' ' ' HIS . 18.4 Cg_endo -74.96 9.35 2.04 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -29.57 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.52 15.59 5.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.621 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -118.38 130.91 56.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.378 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.508 HG11 HD11 ' A' ' 79' ' ' LEU . 1.8 t -112.98 165.77 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 170.08 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.668 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -125.92 169.24 17.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.615 HG21 HH21 ' A' ' 38' ' ' ARG . 20.9 m -145.58 124.52 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.497 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -39.6 -32.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.597 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 2.4 m-20 -160.11 118.88 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -31.03 93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -122.2 33.67 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.582 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -135.41 174.83 10.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.547 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -91.47 -30.29 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.665 ' CD2' ' CD ' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -118.97 82.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.609 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.582 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -130.39 18.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -79.04 162.98 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -148.14 177.16 9.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.865 ' O ' HG23 ' A' ' 70' ' ' ILE . 7.5 tp-100 -170.5 147.78 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.743 HD23 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -119.56 158.69 25.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.0 t -143.89 53.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.503 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -39.84 126.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.74 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -118.44 0.22 11.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 159.67 126.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.413 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -39.63 142.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.67 4.49 81.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.888 ' OE2' HD13 ' A' ' 98' ' ' LEU . 4.3 tt0 -168.35 106.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.731 ' C ' HD23 ' A' ' 98' ' ' LEU . 29.7 m -126.76 164.17 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.45 ' CB ' ' HB3' ' A' ' 61' ' ' SER . 12.7 m-85 -109.81 168.82 9.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 59' ' ' GLN . 17.8 mt -147.34 126.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -112.18 133.9 54.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.601 ' HB2' HD13 ' A' ' 39' ' ' ILE . 5.9 t -71.96 70.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -45.09 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 73' ' ' THR . 0.7 OUTLIER 159.68 -38.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.477 HG21 ' HB3' ' A' ' 41' ' ' PRO . 25.3 p -119.28 -124.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -145.43 16.17 1.86 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.493 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -101.55 -161.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 49.0 m-85 -151.17 174.56 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.793 HD13 HD11 ' A' ' 39' ' ' ILE . 7.3 tp -92.52 161.78 14.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.484 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . . . -177.21 -175.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 2.3 ttt -147.94 94.44 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.527 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 40.0 m-20 -52.64 168.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.404 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 2.8 m -58.95 -16.6 18.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -81.08 3.07 24.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.508 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 59.91 16.55 39.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -97.74 109.07 21.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 0.811 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.012 HD21 HG23 ' A' ' 123' ' ' VAL . 4.2 mp -38.85 119.35 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.527 ' CG ' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -144.03 165.24 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.04 156.5 15.9 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.07 156.65 40.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -90.37 29.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.445 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.3 p -134.13 88.67 30.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.427 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -74.98 99.67 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -156.32 -152.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -66.36 69.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 94' ' ' ASN . 27.8 tt0 -177.94 -43.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 5.1 t -76.71 -26.73 55.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.888 HD13 ' OE2' ' A' ' 67' ' ' GLU . 0.5 OUTLIER -59.55 172.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.4 105.07 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.742 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -46.31 98.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 8.6 tt0 -79.42 161.61 26.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.74 78.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' A' ' 106' ' ' ASN . 19.3 tp -31.43 95.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.687 ' CD ' HD21 ' A' ' 145' ' ' LEU . 1.7 tm-20 -51.8 -40.44 60.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.8 tt0 -130.11 -107.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.81 ' HA ' HD21 ' A' ' 103' ' ' LEU . 4.4 t30 -139.98 40.51 1.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.754 ' N ' HD11 ' A' ' 103' ' ' LEU . 5.4 m170 -178.29 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.62 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 15.2 m-85 -54.17 129.24 34.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.623 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 2.5 m120 -105.32 85.02 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.773 ' CG2' HD23 ' A' ' 145' ' ' LEU . 69.5 p -75.18 94.85 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.743 ' OH ' HD23 ' A' ' 60' ' ' LEU . 17.1 m-85 -78.62 -172.84 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -165.7 123.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.488 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 59.5 p -34.57 99.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.742 ' HG2' HD12 ' A' ' 100' ' ' LEU . 4.7 tmtm? -64.37 -22.62 67.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -71.3 -6.72 41.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 113' ' ' SER . 0.2 OUTLIER 179.85 67.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.479 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -85.23 -2.35 57.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -68.18 -17.66 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 6.5 mttt -101.85 -1.77 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.08 20.59 7.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 35.2 m0 -60.21 107.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 112' ' ' ILE . 16.1 m-85 -89.02 -176.27 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 1.012 HG23 HD21 ' A' ' 87' ' ' LEU . 6.3 p -117.83 12.65 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.534 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -82.72 107.23 2.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.789 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -62.12 119.46 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.628 ' O ' ' N ' ' A' ' 128' ' ' ASN . 30.6 tttt -24.47 118.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.26 61.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.628 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -143.1 -45.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 125.76 68.07 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 168.73 128.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 110.041 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.7 t -41.52 158.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 108.33 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.453 ' HE3' ' CD ' ' A' ' 136' ' ' ARG . 32.5 tptt -129.11 160.29 33.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.425 ' NE ' ' HG2' ' A' ' 135' ' ' PRO . 10.2 ptm180 -95.5 156.11 16.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -39.56 -55.59 2.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.425 ' HG2' ' NE ' ' A' ' 133' ' ' ARG . 18.3 Cg_endo -75.04 63.17 6.01 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.453 ' CD ' ' HE3' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 169.65 39.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.448 ' OG1' ' HA ' ' A' ' 121' ' ' TRP . 4.4 p -145.25 92.65 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.6 OUTLIER -139.8 172.25 13.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.44 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.539 HD12 ' CE1' ' A' ' 122' ' ' PHE . 3.9 pt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.773 HD23 ' CG2' ' A' ' 110' ' ' THR . 68.2 mt -68.8 105.0 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 1.024 ' HB3' HD21 ' A' ' 28' ' ' LEU . 14.0 m-85 -116.17 124.46 50.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.728 ' O ' HD23 ' A' ' 149' ' ' LEU . 1.1 tm? -106.61 102.29 40.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.517 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.4 Cg_endo -75.01 131.36 14.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.2 OUTLIER -129.74 68.9 81.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.844 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 164.99 32.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.504 ' CE ' ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -158.55 123.88 4.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.857 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -93.85 163.74 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.81 ' H ' HD23 ' A' ' 28' ' ' LEU . 12.8 t80 -154.91 153.1 30.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.647 ' SG ' HD13 ' A' ' 125' ' ' LEU . 34.2 m -88.46 153.0 21.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.646 ' CD2' ' N ' ' A' ' 49' ' ' ARG . 2.6 m80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.605 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 35.6 m-85 -115.23 98.06 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.862 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -38.74 152.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.459 ' HD3' ' CA ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -141.06 149.05 41.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.837 HD11 HD13 ' A' ' 79' ' ' LEU . 1.1 tp -123.56 112.88 35.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.863 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -91.03 141.25 26.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.03 7.5 2.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -92.66 -30.53 15.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.2 28.31 2.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.863 ' HB ' HD12 ' A' ' 40' ' ' LEU . 4.4 m -124.55 158.33 33.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 110.427 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 46' ' ' ASP . 2.2 t -129.19 169.65 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 174.02 -170.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.459 ' CA ' ' HD3' ' A' ' 38' ' ' ARG . . . -141.28 155.69 25.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.457 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 6.3 m -135.75 125.45 25.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.646 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -34.64 -46.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' SER . 58.2 m-20 -142.44 122.15 13.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.605 ' CD ' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -33.79 96.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' ASP . 3.8 t -143.25 50.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.976 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.523 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -123.8 -170.97 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.574 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -82.14 -39.27 23.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -155.27 99.38 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.523 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -114.3 20.52 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.2 mp0 -71.39 129.07 37.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -130.54 132.31 45.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.781 ' OE1' HD12 ' A' ' 60' ' ' LEU . 8.4 tp-100 -120.13 154.47 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.817 HD12 ' H ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -118.8 165.31 14.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 6.7 t -145.26 51.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.26 125.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.629 ' HG2' HD21 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -114.0 -3.93 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.07 140.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.52 138.15 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 78.29 1.49 81.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.682 ' HG2' HD22 ' A' ' 98' ' ' LEU . 2.1 tt0 -157.49 104.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.948 ' O ' HD23 ' A' ' 98' ' ' LEU . 7.4 m -126.94 162.51 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.536 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 11.5 m-85 -119.27 163.43 17.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 59' ' ' GLN . 13.1 mt -145.58 124.74 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -129.14 128.94 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.501 ' CB ' HG21 ' A' ' 39' ' ' ILE . 1.9 t -62.05 93.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.543 HG23 ' CB ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -52.8 89.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 73' ' ' THR . 2.1 tp10 160.62 -60.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 74' ' ' GLU . 7.7 p -99.52 -135.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -142.96 61.95 0.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.18 132.03 45.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 93' ' ' PRO . 65.8 m-85 -106.73 112.43 25.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.837 HD13 HD11 ' A' ' 39' ' ' ILE . 4.8 tp -42.36 160.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.639 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -177.89 178.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.453 ' CB ' ' HB3' ' A' ' 113' ' ' SER . 0.0 OUTLIER -140.34 103.78 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.43 ' OD2' ' CG ' ' A' ' 88' ' ' TYR . 36.8 m-20 -61.09 171.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -64.67 -14.53 58.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -5.92 44.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.479 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 73.22 17.48 78.81 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 87' ' ' LEU . 1.9 tt -110.89 127.6 55.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.932 HD21 HG23 ' A' ' 123' ' ' VAL . 7.2 mp -55.41 136.95 49.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -160.16 150.8 18.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -101.74 154.18 18.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.72 153.78 41.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -78.78 2.64 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.0 p -115.72 94.28 40.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.511 ' HB3' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.98 88.48 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' CYS . 2.2 m-80 -127.55 -175.15 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.45 -39.36 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.473 ' CG ' ' HG3' ' A' ' 115' ' ' LYS . 47.3 tt0 -61.69 -50.81 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.639 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 16.8 m -64.9 -24.25 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.948 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.3 mt -67.26 173.06 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.596 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -150.66 124.93 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -66.77 104.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.576 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 0.9 OUTLIER -110.61 146.8 35.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.6 -94.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER 178.38 117.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.755 ' CD ' HD22 ' A' ' 145' ' ' LEU . 3.4 tm-20 -96.71 -35.52 10.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 1.3 mm-40 -130.34 -100.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.609 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 6.2 m120 -170.23 40.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 20.5 m170 -166.48 -61.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.621 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.587 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 11.1 m-85 -65.02 -164.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.629 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 8.8 m120 -158.16 82.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.551 ' CG2' HG13 ' A' ' 144' ' ' ILE . 70.1 p -72.14 99.08 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 6.2 m-85 -81.09 -175.54 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.3 mt -156.27 131.79 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 81' ' ' MET . 1.6 p -49.87 91.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 100' ' ' LEU . 9.8 tttm -50.39 -42.12 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.473 ' HG3' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -45.55 -26.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 81' ' ' MET . 0.2 OUTLIER -166.25 75.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.586 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.428 ' CB ' HG22 ' A' ' 112' ' ' ILE . . . -91.39 -0.08 57.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -64.72 -20.48 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.3 OUTLIER -105.06 3.9 30.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER 64.75 19.03 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.0 m0 -53.97 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.71 ' CE2' HD12 ' A' ' 144' ' ' ILE . 10.6 m-85 -69.63 -170.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.932 HG23 HD21 ' A' ' 87' ' ' LEU . 4.0 p -124.24 44.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.649 ' C ' HD12 ' A' ' 125' ' ' LEU . . . -95.39 -173.2 36.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.835 HD21 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -151.88 121.67 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.3 tttt -36.89 125.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.09 59.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 126' ' ' LYS . 14.2 m120 -144.76 -43.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.558 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 137.82 61.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.0 m -179.46 140.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 110.022 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.488 ' SG ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -58.69 168.58 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.317 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.799 ' HB3' HG23 ' A' ' 137' ' ' THR . 1.5 mttt -102.68 131.35 49.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -79.95 153.92 28.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.619 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -37.02 -62.7 0.82 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.04 53.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.56 40.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -128.76 55.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -122.87 141.72 51.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.748 ' HB2' HD11 ' A' ' 144' ' ' ILE . 8.0 p90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 139' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.755 HD22 ' CD ' ' A' ' 104' ' ' GLU . 0.2 OUTLIER -57.69 100.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.862 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 4.4 m-85 -89.04 121.23 31.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -102.36 105.52 43.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.01 130.37 13.2 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.494 HD11 HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -134.31 62.98 58.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.666 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.02 164.96 32.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.797 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 150' ' ' PRO . 14.4 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 3.0 tptt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 149' ' ' LEU . 0.3 OUTLIER -167.68 123.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.5 OUTLIER -76.82 148.43 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.586 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 6.5 t80 -136.84 141.62 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.586 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 4.2 m -75.83 144.51 41.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.856 ' HB3' HD23 ' A' ' 145' ' ' LEU . 1.9 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.05 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 24.2 m80 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 83.9 m-85 -134.2 95.99 3.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.939 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -34.24 148.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.519 ' NH2' HG21 ' A' ' 48' ' ' THR . 4.5 ptp180 -146.48 145.27 30.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.596 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.8 OUTLIER -125.86 119.84 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.698 HD12 HG22 ' A' ' 44' ' ' THR . 0.8 OUTLIER -86.61 142.59 34.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HA ' ' NE2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.98 8.47 2.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.85 -27.53 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.87 11.88 6.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.698 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -118.82 132.15 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 110.388 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.5 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.2 164.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.597 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 178.83 -176.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.959 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -120.24 179.96 16.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.519 HG21 ' NH2' ' A' ' 38' ' ' ARG . 57.5 m -156.84 123.76 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -45.43 -25.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -150.93 127.86 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -55.48 113.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -179.85 68.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.518 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 6.4 t0 -137.3 -172.48 3.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.734 ' H ' ' NE2' ' A' ' 54' ' ' GLN . 3.4 mp0 -54.84 -44.69 74.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.557 ' CG ' ' CD ' ' A' ' 74' ' ' GLU . 1.8 m-70 -173.87 98.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.633 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.443 HD13 ' C ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -101.34 11.33 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.415 ' OE1' ' ND1' ' A' ' 55' ' ' HIS . 3.6 mp0 -55.0 130.55 42.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.56 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.1 mt -127.45 179.23 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.547 ' O ' HG23 ' A' ' 70' ' ' ILE . 3.1 tp-100 -179.59 148.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.463 HD13 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -116.07 158.76 22.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.3 t -142.83 54.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -37.74 131.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -128.39 1.23 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.515 ' O ' ' O ' ' A' ' 67' ' ' GLU . 1.3 m 157.62 120.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -36.16 150.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.483 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 66.87 10.52 55.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.734 ' HG2' HD12 ' A' ' 98' ' ' LEU . 3.9 tt0 -175.35 104.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.288 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.875 ' O ' HD13 ' A' ' 98' ' ' LEU . 35.3 m -127.74 170.81 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.816 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 10.7 m-85 -109.33 171.18 7.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.601 HD12 ' HD2' ' A' ' 99' ' ' PHE . 18.1 mt -154.3 127.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.646 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -129.76 113.91 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.646 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 1.4 t -65.45 81.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -35.18 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.557 ' CD ' ' CG ' ' A' ' 55' ' ' HIS . 2.4 mm-40 175.74 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -113.76 59.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.41 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 34.08 35.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.491 ' OE1' HG23 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -87.37 105.27 17.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.27 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.476 ' O ' ' CA ' ' A' ' 89' ' ' GLY . 59.4 m-85 -84.81 148.54 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.566 ' CD2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -85.22 142.08 29.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -163.29 178.28 8.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.84 ' HG3' HD12 ' A' ' 87' ' ' LEU . 1.5 ttt -145.74 107.93 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.564 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 61.9 m-20 -65.21 173.65 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.405 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 16.3 m -60.08 -16.43 31.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.88 7.03 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.481 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 55.95 17.49 16.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.11 106.39 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.84 HD12 ' HG3' ' A' ' 81' ' ' MET . 2.6 mp -39.01 135.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.564 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -165.83 165.14 18.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.33 160.66 14.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.06 163.59 33.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -88.44 38.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.46 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.4 p -136.75 89.39 17.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.465 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.5 Cg_endo -74.91 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.6 OUTLIER -158.59 -164.05 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.49 -40.4 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.408 ' CD ' ' HH ' ' A' ' 88' ' ' TYR . 10.0 tt0 -59.65 -68.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 6.2 t -54.06 -41.9 68.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 108.267 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.875 HD13 ' O ' ' A' ' 68' ' ' VAL . 2.6 mm? -48.13 166.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.601 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -150.17 99.6 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.679 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -39.86 99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.656 ' HB2' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -95.17 161.77 13.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.785 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -179.53 91.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -20.21 102.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.5 ' OE1' ' CG ' ' A' ' 105' ' ' GLU . 3.0 tm-20 -66.93 -39.77 87.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.5 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 0.6 OUTLIER -130.12 -97.17 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 2.9 t-20 -164.94 49.31 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 7.1 m170 -176.02 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.556 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.72 ' CD2' HD11 ' A' ' 145' ' ' LEU . 3.4 m-85 -68.88 -160.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.535 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 24.5 m120 -167.29 40.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 144' ' ' ILE . 31.8 p -42.78 153.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.663 ' CD1' ' N ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -135.18 -178.57 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.161 HD11 ' CE1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -150.97 125.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.561 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 8.1 t -30.97 101.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.679 ' HG2' HD12 ' A' ' 100' ' ' LEU . 2.0 tmtm? -68.52 -28.98 67.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.93 -11.38 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.561 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -177.05 63.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 112' ' ' ILE . . . -78.14 -7.31 56.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.68 -14.66 14.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.3 OUTLIER -111.1 5.53 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 122' ' ' PHE . 29.3 m120 55.95 34.96 24.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.61 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.1 m0 -66.22 77.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 1.161 ' CE1' HD11 ' A' ' 112' ' ' ILE . 2.3 m-85 -56.31 165.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.583 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 4.2 p -107.9 82.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -153.38 127.39 2.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.959 HD22 ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.3 125.67 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 0.726 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.613 ' C ' ' O ' ' A' ' 125' ' ' LEU . 27.9 tttt -22.13 124.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.525 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.12 59.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 126' ' ' LYS . 3.1 t-20 -151.37 -46.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.481 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 139.83 63.62 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 168.92 128.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.42 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.6 tptt -150.75 148.48 28.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 134' ' ' GLY . 44.2 ttt180 -69.12 158.09 35.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.78 -57.18 1.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.99 59.17 5.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 173.12 39.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.579 HG21 ' HE1' ' A' ' 81' ' ' MET . 8.0 t -154.78 98.93 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -140.24 -147.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 110' ' ' THR . 19.8 pt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.856 HD23 ' HB3' ' A' ' 31' ' ' SER . 5.5 tp -68.77 78.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.93 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 9.5 m-85 -94.66 129.45 41.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -120.39 128.74 25.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.561 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.2 Cg_endo -75.0 128.08 11.2 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -130.15 55.07 16.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.81 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 -168.39 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.796 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.81 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -162.11 144.24 11.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.07 152.78 19.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.489 ' HB2' HD21 ' A' ' 149' ' ' LEU . 38.6 t80 -135.0 150.26 50.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.2 145.94 36.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.279 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.496 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 80.4 m80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 71.4 m-85 -132.34 96.43 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.842 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -37.37 154.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -144.9 162.21 37.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.791 HD11 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -130.85 108.97 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -86.0 141.72 35.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.1 Cg_endo -75.03 9.91 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.571 1.827 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 40' ' ' LEU . 1.4 t70 -95.39 -30.24 14.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.71 19.74 5.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.632 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -121.11 131.76 54.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.539 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.61 166.48 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.658 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 175.06 -170.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.729 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -130.49 153.32 20.14 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -128.82 126.88 40.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.374 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' THR . 1.9 tmt_? -37.94 -47.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -139.89 112.49 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -31.5 115.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -172.57 64.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.062 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.456 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 3.7 t0 -134.8 -174.88 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.501 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -66.22 -18.56 65.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.581 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 2.5 m-70 174.15 111.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.553 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.875 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.72 14.76 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.04 148.56 35.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.3 mp -147.38 175.84 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -173.95 142.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.96 160.26 16.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 6.5 t -143.36 51.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.68 124.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.611 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -115.49 -0.42 13.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 165.6 175.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 65' ' ' VAL . 3.9 m -72.42 152.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 49.66 24.64 5.98 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.896 ' OE2' HD13 ' A' ' 98' ' ' LEU . 4.1 tt0 -169.12 107.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.781 ' O ' HD23 ' A' ' 98' ' ' LEU . 5.2 m -133.34 161.8 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.5 ' CE2' ' SG ' ' A' ' 97' ' ' CYS . 17.2 m-85 -111.81 164.05 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 59' ' ' GLN . 27.3 mt -146.23 131.15 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -137.93 104.57 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.519 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 2.3 t -61.94 79.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 73' ' ' THR . 15.0 t -49.76 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.581 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.2 mm-40 164.03 -46.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -105.57 -27.15 11.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.87 35.01 13.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -112.06 119.29 37.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 110.266 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CD1' ' HB3' ' A' ' 93' ' ' PRO . 49.3 m-85 -80.29 103.88 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.791 HD13 HD11 ' A' ' 39' ' ' ILE . 6.5 tp -38.73 145.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.683 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -166.52 -177.46 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.794 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -143.62 92.74 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.506 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 11.5 m-20 -44.14 166.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.706 HG23 ' HE2' ' A' ' 115' ' ' LYS . 1.1 p -61.16 -14.07 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.76 8.85 18.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.553 ' CA ' ' CE3' ' A' ' 121' ' ' TRP . . . 57.72 28.14 59.81 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' LEU . 2.1 tt -109.94 108.62 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.794 HD12 ' HG3' ' A' ' 81' ' ' MET . 5.1 mp -39.75 134.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.542 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -166.92 153.15 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.08 132.6 9.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 1.7 t -122.05 164.04 18.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -79.35 3.23 18.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 p -115.73 88.61 20.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HB3' ' CD1' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.02 104.63 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.447 ' N ' ' SG ' ' A' ' 97' ' ' CYS . 3.3 m-80 -140.91 -174.51 4.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 94' ' ' ASN . 0.8 OUTLIER -35.89 -40.58 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.444 ' HB2' ' CD ' ' A' ' 115' ' ' LYS . 45.1 tt0 -61.5 -54.13 47.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.683 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 3.5 p -58.81 -38.85 79.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 108.318 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.896 HD13 ' OE2' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -50.47 174.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.3 120.98 6.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.587 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -61.46 98.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.582 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 6.5 tt0 -104.41 143.51 32.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.812 HH21 HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -144.53 -96.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.255 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 102' ' ' ARG . 1.9 tp 178.9 117.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.49 ' HG3' HD21 ' A' ' 145' ' ' LEU . 3.9 tm-20 -91.6 -43.95 9.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -130.05 -92.25 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.557 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 2.0 t-20 -179.12 58.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.557 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 14.1 m-70 179.97 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.548 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.24 -154.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.457 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 7.6 m120 -168.23 66.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.496 ' CG2' HG13 ' A' ' 144' ' ' ILE . 76.8 p -55.6 99.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 101' ' ' GLU . 5.4 m-85 -81.3 -172.73 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.812 HD12 HH21 ' A' ' 102' ' ' ARG . 0.2 OUTLIER -163.46 119.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 81' ' ' MET . 6.8 t -35.03 101.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.574 ' HA ' HD12 ' A' ' 100' ' ' LEU . 17.3 tttm -57.46 -17.22 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.706 ' HE2' HG23 ' A' ' 83' ' ' THR . 0.0 OUTLIER -92.31 -3.33 55.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.735 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 1.3 m-70 -152.48 39.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.659 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.587 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -77.35 -1.2 28.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.49 -29.22 30.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 1.8 tttt -101.92 -0.04 34.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 65.45 28.61 11.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.735 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 34.3 m0 -64.55 78.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 112' ' ' ILE . 13.6 m-85 -54.21 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.701 HG23 HD21 ' A' ' 87' ' ' LEU . 5.1 p -122.9 17.8 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -88.91 107.58 3.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.842 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -61.31 118.8 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 128' ' ' ASN . 0.7 OUTLIER -22.77 116.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -62.7 61.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.638 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -141.12 -43.81 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.496 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.74 58.48 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.68 114.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.969 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -41.7 156.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.1 mptt -121.21 167.77 12.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 135' ' ' PRO . 21.8 ptt180 -96.0 165.49 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.612 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -35.1 -56.58 0.86 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.487 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.0 55.73 4.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 176.94 37.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.52 92.02 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 139' ' ' TYR . 6.3 m80 -148.82 172.22 15.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.465 ' CD1' HD11 ' A' ' 144' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.582 HD12 ' CE2' ' A' ' 122' ' ' PHE . 3.5 pt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.49 HD21 ' HG3' ' A' ' 104' ' ' GLU . 40.5 mt -65.11 90.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.488 ' CZ ' ' HA2' ' A' ' 124' ' ' GLY . 13.2 m-85 -105.09 116.96 32.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.587 HD23 ' HD2' ' A' ' 148' ' ' PRO . 0.0 OUTLIER -103.35 109.67 62.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.587 ' HD2' HD23 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.03 129.86 12.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.546 1.814 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.5 pp -133.27 63.74 66.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.854 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 -168.9 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.94 ' HG ' HD11 ' A' ' 149' ' ' LEU . 0.2 OUTLIER -155.89 107.61 2.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.007 HD21 ' HB3' ' A' ' 146' ' ' PHE . 2.7 tt -65.85 157.48 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.828 ' H ' HD23 ' A' ' 28' ' ' LEU . 7.3 t80 -157.74 156.17 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.727 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 59.5 m -80.11 166.52 21.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.566 ' HB2' ' CD1' ' A' ' 108' ' ' TYR . 3.1 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 49' ' ' ARG . 2.8 m80 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.632 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 57.1 m-85 -123.38 98.98 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.663 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 1.1 mt -29.9 141.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.533 ' HB2' HG22 ' A' ' 56' ' ' ILE . 1.6 ptp180 -145.52 157.22 44.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.815 HD12 HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -142.09 152.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.599 HD23 ' HB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -108.95 145.26 31.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 2.64 6.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.74 -53.47 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.04 45.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.599 ' HB ' HD23 ' A' ' 40' ' ' LEU . 1.7 m -142.48 169.41 17.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.429 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.815 HG13 HD12 ' A' ' 39' ' ' ILE . 1.4 t -144.67 164.58 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.667 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 174.29 -171.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.554 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -135.13 165.34 24.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.097 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.484 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 2.7 m -140.02 127.4 21.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.573 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -44.32 -33.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -144.48 115.36 7.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.594 ' NE ' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -35.98 122.25 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t 179.65 70.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -145.59 -178.23 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.593 ' NE2' ' H ' ' A' ' 55' ' ' HIS . 3.3 pm0 -57.98 -40.09 79.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 6.8 m-70 -172.99 105.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.571 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.541 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -111.2 31.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -79.83 123.45 27.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.655 HD13 ' HB3' ' A' ' 37' ' ' LEU . 4.9 mp -130.62 116.37 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -109.49 136.71 48.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.786 HD22 ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -96.39 162.36 13.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 7.1 t -143.02 50.2 1.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.414 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.38 128.74 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.586 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -119.41 -2.26 10.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.9 135.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.39 138.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' HA2' HD23 ' A' ' 100' ' ' LEU . . . 79.31 -3.56 66.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.839 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.6 tt0 -155.85 102.61 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.873 ' O ' HD23 ' A' ' 98' ' ' LEU . 34.8 m -127.2 164.66 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.56 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 19.1 m-85 -117.54 169.34 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.482 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 13.3 mt -146.41 133.66 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.676 ' HZ3' ' HA2' ' A' ' 76' ' ' GLY . 0.1 OUTLIER -139.86 94.32 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 77' ' ' GLN . 42.7 t -57.23 84.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 73' ' ' THR . 7.3 t -68.94 102.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 1.4 mm-40 164.44 -38.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.514 HG23 ' OE1' ' A' ' 77' ' ' GLN . 3.2 t -129.05 3.59 5.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.676 ' HA2' ' HZ3' ' A' ' 71' ' ' LYS . . . 65.62 76.27 0.34 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.514 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -148.77 144.4 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 19.6 m-85 -112.29 102.76 10.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 39' ' ' ILE . 4.3 tp -42.8 139.09 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -161.35 -175.54 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.555 ' HE1' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -154.27 113.33 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -76.71 177.23 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.0 p -59.45 -14.96 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.492 ' OD2' ' CZ ' ' A' ' 133' ' ' ARG . 2.8 t0 -85.5 8.65 18.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.13 27.08 5.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -105.05 107.1 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 0.814 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.029 HD21 HG23 ' A' ' 123' ' ' VAL . 2.8 mp -41.09 128.61 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.3 p90 -154.39 172.81 17.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -99.43 157.3 19.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.0 t -146.7 116.86 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -69.11 -5.82 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.446 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 7.4 p -114.76 99.61 52.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.457 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.03 101.7 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -157.26 -150.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.11 69.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CD ' ' HH ' ' A' ' 88' ' ' TYR . 27.2 tt0 -178.27 -54.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.3 t -68.1 -32.12 72.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.35 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -54.98 -179.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.805 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -160.79 122.84 3.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.53 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -62.63 104.78 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.57 ' HB2' HG13 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -84.32 160.06 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 110.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.548 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -173.05 79.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -28.57 96.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.7 tm-20 -61.4 -43.86 98.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -130.23 -105.04 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.599 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 5.7 t30 -143.32 36.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 7.3 m170 -176.09 -66.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CD2' HD23 ' A' ' 145' ' ' LEU . 29.7 m-85 -53.41 133.68 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.64 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 13.2 m120 -109.0 78.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.475 ' CG2' ' HG ' ' A' ' 145' ' ' LEU . 70.4 p -68.42 93.68 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.786 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 8.0 m-85 -81.27 -176.5 6.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.995 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -163.41 130.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.587 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 8.6 t -35.89 100.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.53 ' HG2' HD12 ' A' ' 100' ' ' LEU . 2.2 tmtm? -66.98 -26.66 66.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.427 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -65.31 -15.73 62.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.587 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -175.02 70.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.61 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.417 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -79.68 -8.04 58.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.09 -22.52 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 4.2 mttt -100.03 1.01 42.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 122' ' ' PHE . 30.5 m120 60.24 28.19 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 26.9 m0 -63.4 80.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 107.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.995 ' CE2' HD11 ' A' ' 112' ' ' ILE . 4.8 m-85 -62.1 177.32 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 1.029 HG23 HD21 ' A' ' 87' ' ' LEU . 5.9 p -113.75 20.95 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.484 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -92.35 105.03 3.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.667 HD22 ' C ' ' A' ' 46' ' ' ASP . 0.8 OUTLIER -59.33 116.09 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.649 ' O ' ' N ' ' A' ' 128' ' ' ASN . 2.0 tttt -22.29 115.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.534 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -62.46 61.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.649 ' N ' ' O ' ' A' ' 126' ' ' LYS . 8.6 t-20 -135.24 -42.37 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.556 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 130.07 52.77 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 131' ' ' CYS . 1.5 m 169.63 135.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.426 ' SG ' HD23 ' A' ' 125' ' ' LEU . 2.9 t -47.52 171.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.432 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 6.6 tptt -150.25 148.79 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.492 ' CZ ' ' OD2' ' A' ' 84' ' ' ASP . 0.1 OUTLIER -70.76 153.46 42.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.551 ' C ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.42 -56.78 1.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -74.99 54.84 3.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.768 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 175.68 38.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.14 93.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.0 OUTLIER -131.0 -164.46 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.696 ' HA ' HD13 ' A' ' 144' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.956 HG13 HD12 ' A' ' 145' ' ' LEU . 19.1 pt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.956 HD12 HG13 ' A' ' 144' ' ' ILE . 7.4 mp -77.91 104.49 8.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 1.007 ' HB3' HD21 ' A' ' 28' ' ' LEU . 14.2 m-85 -112.44 125.57 54.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 107' ' ' HIS . 1.0 OUTLIER -110.22 98.73 36.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.415 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.3 Cg_endo -75.04 133.55 16.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.94 HD11 ' HG ' ' A' ' 27' ' ' LEU . 2.8 pp -123.83 73.64 54.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.749 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 174.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.811 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.641 ' O ' HD12 ' A' ' 27' ' ' LEU . 3.6 pp -168.47 123.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD22 ' HB3' ' A' ' 146' ' ' PHE . 0.7 OUTLIER -69.94 169.38 13.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.723 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 57.2 t80 -159.5 147.52 17.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.428 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -92.03 147.03 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 78.0 m80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 25.6 m-85 -109.84 89.76 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.833 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -36.82 152.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.575 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.99 -178.21 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.634 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -155.68 120.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.812 HD12 ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -105.34 142.11 24.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.673 ' HD3' ' CD2' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.06 5.17 4.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.35 -34.47 23.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.51 33.68 1.28 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.691 ' O ' HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -140.35 120.51 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 110.451 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -108.16 166.76 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.545 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 174.27 -170.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.901 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -133.42 122.27 3.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.491 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 1.1 m -89.92 136.97 32.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.36 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.16 -43.1 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.531 ' O ' ' C ' ' A' ' 51' ' ' ARG . 56.6 m-20 -146.93 112.95 5.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.605 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -25.67 92.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' ASP . 6.3 p -127.61 31.05 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.576 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -126.16 -178.08 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.605 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -92.16 -36.91 13.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.812 ' CE1' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.29 86.93 2.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.576 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -128.9 17.82 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 22.4 mp0 -84.83 162.35 19.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -147.53 165.14 31.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 3.8 tp60 -161.65 132.34 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.655 HD13 ' OH ' ' A' ' 111' ' ' TYR . 1.1 mt -93.63 160.03 14.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' ALA . 10.2 t -147.01 49.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.597 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -38.86 124.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -117.68 1.89 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 177.55 173.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.416 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -81.41 148.72 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.61 13.33 37.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.988 ' HB2' HD22 ' A' ' 98' ' ' LEU . 1.4 pm0 -166.94 118.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.798 HG11 ' OE1' ' A' ' 101' ' ' GLU . 27.6 m -134.97 164.51 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 18.8 m-85 -111.71 167.26 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.713 HD12 ' HD2' ' A' ' 99' ' ' PHE . 95.9 mt -142.8 126.05 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.609 ' CG ' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -129.53 92.86 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 t -54.11 95.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 73' ' ' THR . 13.5 t -54.52 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.82 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.494 HG21 HG23 ' A' ' 39' ' ' ILE . 30.0 p -80.27 -120.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.86 30.47 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.509 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -135.8 -169.08 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 71' ' ' LYS . 6.1 m-85 -138.85 131.49 28.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 79' ' ' LEU . 5.3 tp -41.22 146.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.563 ' CB ' ' CE1' ' A' ' 88' ' ' TYR . . . -165.25 177.42 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.568 ' SD ' HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -147.83 88.78 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.536 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 16.1 m-20 -46.02 168.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.979 HG22 ' HE2' ' A' ' 115' ' ' LYS . 32.5 p -63.16 -11.83 23.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.395 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -78.28 -9.16 59.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.48 23.43 78.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 3.1 tt -112.06 111.7 22.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.568 HD12 ' SD ' ' A' ' 81' ' ' MET . 3.8 mp -39.38 134.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.563 ' CE1' ' CB ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -161.38 163.16 30.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.52 152.67 17.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 t -147.6 127.87 13.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 0.0 110.034 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.98 -1.1 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.474 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 8.6 p -114.85 96.92 46.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.449 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.478 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -75.04 106.42 2.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.478 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.7 OUTLIER -149.88 -158.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.57 68.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' ASN . 24.3 tt0 -178.19 -59.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 5.2 t -61.44 -33.15 73.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.988 HD22 ' HB2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -55.21 173.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.713 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -149.51 113.17 5.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -56.71 98.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.798 ' OE1' HG11 ' A' ' 68' ' ' VAL . 11.7 tt0 -61.54 167.24 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 104' ' ' GLU . 4.3 mtm180 179.58 93.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.585 HD21 ' N ' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -58.61 83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.557 ' HG3' HD21 ' A' ' 145' ' ' LEU . 2.0 tm-20 -46.35 -45.98 17.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 1.6 tt0 -129.8 -102.7 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 16.4 t30 -141.7 36.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.655 ' HB3' HD23 ' A' ' 147' ' ' LEU . 6.9 m170 -176.28 -59.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.412 ' HB3' ' HA ' ' A' ' 145' ' ' LEU . 6.3 m-85 -63.69 103.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.567 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 37.4 m-20 -85.8 64.72 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.874 ' CG2' HD23 ' A' ' 145' ' ' LEU . 40.7 p -51.24 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.404 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.655 ' OH ' HD13 ' A' ' 60' ' ' LEU . 43.6 m-85 -79.55 -167.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.79 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -169.52 119.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 112' ' ' ILE . 79.4 p -33.91 100.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.553 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -57.61 -17.44 14.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.979 ' HE2' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -89.18 -12.05 42.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.76 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 2.4 m-70 -143.1 39.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.53 -17.78 62.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -78.3 -20.04 52.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -102.38 -4.8 24.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.36 15.07 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.76 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 35.4 m0 -56.47 95.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 108.05 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.79 ' CE1' HD11 ' A' ' 112' ' ' ILE . 16.7 m-85 -74.35 -172.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 123' ' ' VAL . 4.3 p -121.52 13.48 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.493 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -84.92 105.88 2.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -60.07 121.0 10.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.5 tttt -24.58 119.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -64.33 60.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.605 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -140.65 -44.44 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.585 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.08 62.38 0.12 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.08 123.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.6 t -41.37 156.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 21.1 tptt -126.09 160.47 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.419 ' NE ' ' HG2' ' A' ' 135' ' ' PRO . 10.6 ptm180 -85.92 158.97 19.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -40.81 -57.04 2.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.419 ' HG2' ' NE ' ' A' ' 133' ' ' ARG . 18.3 Cg_endo -75.0 65.1 6.07 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.433 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 170.99 39.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 121' ' ' TRP . 7.4 p -146.98 96.98 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.452 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -141.84 175.83 9.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.612 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.446 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.516 HG13 ' CG2' ' A' ' 110' ' ' THR . 4.4 pt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.874 HD23 ' CG2' ' A' ' 110' ' ' THR . 45.1 mt -66.55 108.36 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.493 ' CZ ' ' HA2' ' A' ' 124' ' ' GLY . 12.6 m-85 -120.81 121.83 39.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 107' ' ' HIS . 1.4 tm? -111.83 102.64 54.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.535 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -74.99 142.31 27.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -129.29 68.85 80.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.881 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.97 171.43 18.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 27' ' ' LEU . 2.2 pp -174.73 113.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.86 165.84 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -158.01 129.46 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -73.07 152.07 41.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 108.33 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.011 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' NE2' ' C ' ' A' ' 128' ' ' ASN . 37.9 m80 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 53.2 m-85 -130.27 97.37 4.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.775 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -39.71 159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.87 159.19 42.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.602 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -132.19 110.78 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -88.15 139.71 30.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.494 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.97 11.38 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -95.79 -30.45 13.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.89 21.08 4.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 111.05 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.604 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -123.56 132.39 53.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -109.32 167.24 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.549 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 176.84 -168.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.79 154.2 21.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.456 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.2 m -132.69 131.6 41.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.71 -45.72 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.2 m-20 -139.74 112.4 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.575 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -29.82 121.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t 179.81 69.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 10.2 t0 -141.68 -174.28 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.469 HE22 HD23 ' A' ' 40' ' ' LEU . 3.5 pm0 -58.29 -34.76 70.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -177.8 108.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -110.37 15.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -64.94 111.26 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.544 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 5.3 mt -111.16 133.95 53.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.504 ' CB ' HG23 ' A' ' 73' ' ' THR . 0.0 OUTLIER -131.55 135.61 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.805 HD22 ' OH ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -103.71 163.19 12.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 t -139.3 54.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -40.8 125.91 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -114.82 -3.78 12.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.21 137.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -41.61 137.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 3.54 70.79 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.612 ' HG2' HD13 ' A' ' 98' ' ' LEU . 2.5 tt0 -157.15 104.97 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.865 ' O ' HD23 ' A' ' 98' ' ' LEU . 23.8 m -132.75 162.27 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.516 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 25.8 m-85 -117.41 170.31 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.4 mt -146.47 129.15 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -134.88 116.33 14.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.602 ' CB ' HG21 ' A' ' 39' ' ' ILE . 1.2 t -50.07 100.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.504 HG23 ' CB ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -55.75 77.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.587 ' N ' ' O ' ' A' ' 72' ' ' SER . 18.8 tp10 173.21 -73.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.494 HG21 ' HB3' ' A' ' 41' ' ' PRO . 10.1 p -89.84 -132.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.496 ' HA2' ' HZ3' ' A' ' 71' ' ' LYS . . . -140.77 42.37 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.81 115.88 30.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.791 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 41.6 m-85 -91.99 107.51 19.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.585 HD13 ' CD1' ' A' ' 39' ' ' ILE . 6.5 tp -42.81 150.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -171.66 -178.05 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.843 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.25 116.2 9.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 33.7 m-20 -72.05 171.97 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 p -58.88 -15.67 13.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.82 5.02 26.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.495 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 58.31 23.48 53.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -106.15 105.93 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.843 HD12 ' HG3' ' A' ' 81' ' ' MET . 1.4 mp -38.95 138.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 82' ' ' ASP . 3.1 p90 -165.75 154.36 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.08 151.44 19.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.46 158.86 44.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -90.35 31.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.4 p -135.07 89.47 23.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.446 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.97 102.91 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.446 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.4 m-80 -157.65 -163.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -39.76 -41.11 1.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.458 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 9.1 tt0 -57.95 -74.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -44.37 -39.94 5.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 108.305 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.865 HD23 ' O ' ' A' ' 68' ' ' VAL . 5.5 mt -48.9 167.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.693 ' HZ ' HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -151.13 102.97 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -52.48 101.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.603 ' CD ' HG11 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -67.14 176.73 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 101' ' ' GLU . 6.7 mtm180 -179.69 94.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 108' ' ' TYR . 13.5 tp -55.84 87.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.599 ' OE1' HD22 ' A' ' 145' ' ' LEU . 0.6 OUTLIER -64.52 -56.89 11.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 0.7 OUTLIER -99.52 -121.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.567 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 36.4 p-10 -132.02 39.39 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 13.4 m-70 -179.99 -61.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.545 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 15.6 m-85 -43.05 153.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.613 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 20.7 m120 -125.68 63.3 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.48 ' CG2' HG13 ' A' ' 144' ' ' ILE . 67.1 p -54.56 97.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.845 ' CE2' HG21 ' A' ' 68' ' ' VAL . 24.6 m-85 -79.56 -177.6 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -159.04 131.62 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.591 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 22.8 t -42.03 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.477 ' CD ' ' HG3' ' A' ' 67' ' ' GLU . 15.2 tttp -63.73 -24.02 67.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.519 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -66.83 -10.81 51.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.591 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.95 61.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.564 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.469 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -72.33 -14.69 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.13 -17.83 21.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.555 ' CD ' ' CZ2' ' A' ' 121' ' ' TRP . 0.2 OUTLIER -99.78 -2.26 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 137' ' ' THR . 30.7 m120 62.12 37.73 14.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 39.3 m0 -78.92 95.73 5.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CD2' HD12 ' A' ' 144' ' ' ILE . 14.0 m-85 -76.23 -179.77 5.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.767 HG23 HD21 ' A' ' 87' ' ' LEU . 7.6 p -113.62 36.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.486 ' C ' HD23 ' A' ' 125' ' ' LEU . . . -93.39 119.95 6.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 131' ' ' CYS . 2.2 mt -95.15 125.63 39.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 128' ' ' ASN . 74.7 tttt -36.84 131.49 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.527 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -69.34 58.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 126' ' ' LYS . 3.7 m120 -143.28 -45.55 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.52 71.39 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 169.98 120.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.552 ' HA ' HD13 ' A' ' 125' ' ' LEU . 24.5 t -49.47 156.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 131' ' ' CYS . 0.3 OUTLIER -98.77 168.4 10.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.415 ' CD ' ' HG2' ' A' ' 135' ' ' PRO . 2.5 ptp180 -99.14 151.35 21.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -38.44 -54.38 2.18 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.494 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -75.0 51.24 2.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.445 1.761 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.5 39.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.441 ' H ' ' CE1' ' A' ' 138' ' ' HIS . 0.2 OUTLIER -126.61 60.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER -131.97 133.82 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.564 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.699 ' HB2' HD11 ' A' ' 144' ' ' ILE . 10.2 p90 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 139' ' ' TYR . 1.1 pt . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 145' ' ' LEU . 3.0 mt -54.24 100.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.775 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 4.6 m-85 -108.04 120.74 43.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.37 99.11 39.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 142.23 27.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.568 1.825 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.624 HD11 ' HG ' ' A' ' 27' ' ' LEU . 1.4 pp -132.99 65.1 73.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.855 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.01 165.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.504 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.828 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -152.27 100.67 2.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -66.59 167.92 10.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.431 ' HD1' ' CE2' ' A' ' 36' ' ' PHE . 84.8 t80 -160.36 124.28 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER -79.45 143.24 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 108.293 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.451 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 3.7 m80 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.685 ' CZ ' ' CZ ' ' A' ' 51' ' ' ARG . 72.7 m-85 -120.45 97.2 5.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.857 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -40.22 144.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.624 ' NH2' HG21 ' A' ' 48' ' ' THR . 9.1 ptp180 -139.29 141.17 37.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.73 HD12 HD13 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -120.28 120.8 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.827 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -93.79 138.01 22.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.571 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.01 10.38 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -93.58 -28.26 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.68 21.73 3.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.827 ' HB ' HD12 ' A' ' 40' ' ' LEU . 4.5 m -124.75 142.46 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 1.6 t -124.79 165.51 21.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.591 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 173.07 -171.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.888 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -127.79 166.43 20.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.624 HG21 ' NH2' ' A' ' 38' ' ' ARG . 56.9 m -142.61 123.76 14.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -45.13 -25.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -155.41 128.73 8.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.685 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -49.11 91.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' ASP . 5.2 p -136.38 46.18 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.945 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.527 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -119.86 -171.3 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.573 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -85.04 -39.6 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.573 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -155.8 99.81 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.527 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -113.73 18.14 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.648 ' O ' HD23 ' A' ' 58' ' ' LEU . 9.7 mp0 -66.73 166.63 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 57' ' ' GLN . 53.7 mt -155.92 -176.14 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 1.8 tt0 -173.13 132.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.31 161.88 13.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.4 t -146.62 53.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -40.15 127.34 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.8 pp20? -121.16 1.1 10.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 160.79 123.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -37.31 148.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.558 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 69.76 9.43 62.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.911 ' HG2' HD22 ' A' ' 98' ' ' LEU . 4.0 tt0 -172.73 106.09 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.837 ' O ' HD23 ' A' ' 98' ' ' LEU . 28.3 m -127.44 166.05 25.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.542 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 10.5 m-85 -110.26 165.05 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.602 HD12 ' HD2' ' A' ' 99' ' ' PHE . 57.0 mt -144.25 127.0 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -126.09 125.78 43.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.642 ' CB ' HG21 ' A' ' 39' ' ' ILE . 2.6 t -67.46 71.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 73' ' ' THR . 14.6 t -53.1 89.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.388 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' SER . 0.6 OUTLIER 171.41 -44.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 41' ' ' PRO . 69.0 p -103.01 -102.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.43 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -177.38 33.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.432 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -125.63 -168.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 36.8 m-85 -137.3 165.92 25.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.73 HD13 HD12 ' A' ' 39' ' ' ILE . 15.0 tp -101.13 134.96 43.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.731 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -153.96 -165.31 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.513 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -153.81 88.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.566 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 61.4 m-20 -48.88 175.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.401 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 9.7 m -62.44 -13.25 27.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -90.15 21.8 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.0 29.8 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' ASP . 3.3 tt -107.41 106.36 16.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.666 HD12 ' H ' ' A' ' 87' ' ' LEU . 6.3 mp -39.55 114.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -142.47 168.87 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.34 154.86 16.33 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.32 158.83 44.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.32 38.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.2 p -143.49 93.45 6.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.436 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.03 105.43 2.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.436 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 3.2 m-80 -155.31 -167.77 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -38.58 -44.93 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' CG ' ' HG3' ' A' ' 115' ' ' LYS . 18.5 tt0 -56.26 -73.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.731 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 14.2 t -42.89 -43.34 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.911 HD22 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -51.28 172.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.602 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -152.22 99.01 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -39.64 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.632 ' HB2' HG22 ' A' ' 68' ' ' VAL . 27.2 tt0 -77.66 160.37 28.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.879 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER 178.55 76.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 106' ' ' ASN . 8.5 tp -35.12 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.648 ' OE1' HD11 ' A' ' 145' ' ' LEU . 1.4 tm-20 -45.09 -60.09 2.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -115.12 -100.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.571 ' HA ' HD21 ' A' ' 103' ' ' LEU . 47.5 p-10 -146.42 50.63 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.9 m170 179.97 -52.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.753 ' CE2' HD23 ' A' ' 145' ' ' LEU . 4.5 m-85 -77.82 131.8 37.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.595 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 14.2 m120 -102.36 50.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 104' ' ' GLU . 46.4 p -47.35 97.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 3.1 m-85 -86.28 -171.36 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.879 HD12 ' NH2' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -154.54 121.81 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.458 ' HB3' ' CE ' ' A' ' 81' ' ' MET . 59.5 p -39.74 95.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.51 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 4.6 tttm -55.02 -18.42 5.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.436 ' HG3' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -72.27 -19.04 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.513 ' CE1' ' O ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -163.93 65.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.604 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.525 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -86.5 -22.95 26.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.94 -15.22 20.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -102.56 -1.11 31.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.1 m120 64.02 46.05 3.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 45.3 m0 -91.73 102.37 14.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 107.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.705 ' CD2' HD12 ' A' ' 144' ' ' ILE . 12.2 m-85 -77.37 -176.44 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 111' ' ' TYR . 4.0 p -124.07 91.86 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -160.02 134.74 3.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.888 HD22 ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -80.71 124.97 29.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.75 122.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.03 60.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.6 m-20 -160.68 -41.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 136.55 88.99 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 169.8 158.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 6.2 t -101.89 144.66 30.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.467 ' CD ' ' HB ' ' A' ' 137' ' ' THR . 0.0 OUTLIER -69.57 179.44 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -165.63 58.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 117.28 -137.43 13.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.477 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 18.4 Cg_endo -75.06 60.55 5.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.445 ' CB ' ' HG3' ' A' ' 132' ' ' LYS . 0.8 OUTLIER -130.86 3.69 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.602 ' C ' ' CG ' ' A' ' 138' ' ' HIS . 4.9 t -123.26 119.21 29.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.602 ' CG ' ' C ' ' A' ' 137' ' ' THR . 0.1 OUTLIER -163.99 -179.04 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.504 ' CD1' ' CZ ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.705 HD12 ' CD2' ' A' ' 122' ' ' PHE . 3.6 pt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.753 HD23 ' CE2' ' A' ' 108' ' ' TYR . 5.0 mp -65.83 106.0 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.8 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 6.0 m-85 -117.91 119.43 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.422 ' CD2' ' HD2' ' A' ' 148' ' ' PRO . 0.2 OUTLIER -108.85 105.96 57.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.422 ' HD2' ' CD2' ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.02 127.33 10.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.2 pp -134.53 64.45 64.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.812 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.02 172.58 16.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.812 HG13 ' O ' ' A' ' 150' ' ' PRO . 2.1 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 27' ' ' LEU . 6.9 tttt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -136.68 102.96 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -68.12 167.57 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.769 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 24.6 t80 -162.65 152.15 15.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.603 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 46.8 m -82.66 157.54 23.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.481 ' HB2' ' HB3' ' A' ' 145' ' ' LEU . 28.9 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.595 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.769 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 50.1 m-85 -134.72 101.62 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.925 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -41.55 163.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -154.55 158.77 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -127.88 108.57 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.826 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -88.02 141.35 31.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.98 7.95 2.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.91 -33.38 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.79 32.73 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.826 ' HB ' HD12 ' A' ' 40' ' ' LEU . 3.5 m -127.09 161.18 29.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.424 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -131.3 163.4 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.701 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 177.97 -173.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.948 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -135.32 138.37 9.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.46 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.8 m -107.33 122.02 45.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -46.0 22.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 51' ' ' ARG . 4.7 m-20 -128.01 90.34 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.627 ' CG ' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -25.96 116.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.2 t 179.56 69.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . 6.3 t0 -136.76 -175.22 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.471 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -55.72 -44.85 77.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.509 ' CD2' ' OE1' ' A' ' 74' ' ' GLU . 25.2 m-70 -166.55 102.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.909 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -110.7 -0.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 57' ' ' GLN . 7.1 mp0 -56.64 144.39 32.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.7 mp -141.02 178.67 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' NE2' ' HD3' ' A' ' 26' ' ' LYS . 5.8 tp-100 -168.22 149.66 5.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD21 ' CZ ' ' A' ' 111' ' ' TYR . 1.2 mt -105.53 166.66 10.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 69' ' ' TYR . 5.1 t -147.06 53.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.07 125.85 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.882 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -116.07 -2.17 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.57 130.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -40.1 139.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.62 3.84 83.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.891 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.6 tt0 -164.56 106.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.831 ' O ' HD23 ' A' ' 98' ' ' LEU . 33.2 m -127.43 168.38 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.526 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 11.1 m-85 -119.18 169.59 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.554 ' CG1' HD23 ' A' ' 60' ' ' LEU . 97.0 mt -145.59 128.99 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -136.0 106.86 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' GLU . 7.6 t -66.61 79.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -51.22 90.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.509 ' OE1' ' CD2' ' A' ' 55' ' ' HIS . 3.6 mm-40 -170.72 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.793 HG23 ' OE1' ' A' ' 77' ' ' GLN . 2.1 t -157.79 58.24 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 32.26 91.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.793 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -152.53 121.75 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 55.4 m-85 -106.51 106.64 17.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.478 ' HB2' HG22 ' A' ' 70' ' ' ILE . 8.4 tp -46.63 157.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -170.76 -169.76 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.576 ' HE1' HG21 ' A' ' 137' ' ' THR . 0.0 OUTLIER -155.74 88.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.457 ' O ' ' NE2' ' A' ' 116' ' ' HIS . 12.1 m-20 -46.57 165.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.56 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 2.5 m -56.65 -16.72 6.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 134' ' ' GLY . 3.1 m-20 -80.81 3.58 22.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.72 29.98 58.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.753 HD12 ' HD2' ' A' ' 133' ' ' ARG . 5.4 tt -109.37 108.85 19.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.52 HD21 HG23 ' A' ' 123' ' ' VAL . 2.5 mp -39.79 120.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 90' ' ' SER . 0.3 OUTLIER -151.79 160.53 43.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.98 142.9 17.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -146.66 155.46 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.017 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.03 38.86 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.438 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.5 p -134.62 89.34 26.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -74.97 101.65 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.8 OUTLIER -157.68 -154.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.38 59.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' ASN . 6.1 tt0 -167.14 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.466 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -73.25 -23.27 60.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.891 HD22 ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -71.39 175.54 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.606 ' CE2' HG21 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -153.71 121.71 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.514 HD12 ' HG3' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -62.56 99.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 3.4 tt0 -80.14 138.08 36.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -155.04 82.12 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.6 tp -29.93 99.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.607 ' OE2' HD21 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -58.84 -53.81 54.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -110.96 -106.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.625 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 4.3 t30 -147.83 39.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 21.6 m170 -165.09 -76.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.607 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.6 ' CD1' HD23 ' A' ' 147' ' ' LEU . 26.1 m-85 -45.34 171.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.616 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 71.1 m-20 -128.47 50.72 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.526 ' OG1' ' CB ' ' A' ' 104' ' ' GLU . 14.8 p -48.27 109.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.117 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.651 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -99.52 -170.55 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.643 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -157.95 111.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.607 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 0.9 OUTLIER -32.46 98.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.514 ' HG3' HD12 ' A' ' 100' ' ' LEU . 10.6 tttm -58.45 -18.13 26.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HD3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -68.66 -9.81 52.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.607 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -177.16 69.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.616 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.505 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -93.99 14.79 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.32 -21.36 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -108.65 5.24 24.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER 66.13 23.91 10.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.577 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 35.3 m0 -60.62 83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.967 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.678 ' CZ ' ' CD1' ' A' ' 139' ' ' TYR . 8.9 m-85 -60.05 -172.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.606 HG21 ' CE2' ' A' ' 99' ' ' PHE . 3.3 p -126.65 101.21 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.53 136.22 3.43 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.157 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.948 HD13 ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -78.27 118.91 20.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 128' ' ' ASN . 16.0 tttt -24.39 118.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -62.43 60.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.652 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.4 m-20 -142.66 -45.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.595 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 139.99 57.27 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.59 150.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.444 ' HB2' HD23 ' A' ' 125' ' ' LEU . 13.0 t -92.86 161.57 14.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -123.4 177.89 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.753 ' HD2' HD12 ' A' ' 86' ' ' LEU . 11.6 ptt180 -143.59 128.06 17.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 87.79 -137.06 14.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.473 ' HA ' ' NE1' ' A' ' 121' ' ' TRP . 18.4 Cg_endo -74.98 72.64 4.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.47 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 1.4 mpt_? -155.27 23.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.576 HG21 ' HE1' ' A' ' 81' ' ' MET . 6.1 t -145.24 94.09 2.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 139' ' ' TYR . 21.8 m80 -136.66 -174.03 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.596 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.678 ' CD1' ' CZ ' ' A' ' 122' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.981 HG13 HD12 ' A' ' 145' ' ' LEU . 10.8 pt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.981 HD12 HG13 ' A' ' 144' ' ' ILE . 8.0 mp -76.7 112.16 12.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.706 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 11.5 m-85 -116.58 119.76 36.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.6 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -103.27 107.1 54.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.16 13.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.643 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.8 pp -131.72 66.56 78.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.892 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 167.86 26.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -167.71 115.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -67.48 -173.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.785 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 7.6 t80 179.39 152.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.636 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 67.7 m -77.14 157.49 30.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.04 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.648 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 1.3 m80 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.785 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 24.3 m-85 -116.52 104.72 11.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.754 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -34.95 149.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.462 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -149.08 132.03 16.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -110.49 112.27 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.12 142.62 36.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.98 8.68 2.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.79 -28.96 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.4 18.06 5.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.636 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -122.11 134.18 54.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 110.405 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.63 166.72 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.68 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -177.96 -163.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.454 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -147.62 128.3 2.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.473 ' C ' ' HB3' ' A' ' 35' ' ' HIS . 1.1 m -98.76 124.19 43.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 110.366 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 17.6 ptt-85 -38.23 -53.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 51' ' ' ARG . 23.6 m-20 -131.3 107.15 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.606 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -24.28 111.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.5 t -161.88 60.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.576 ' HB3' HG23 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -135.35 -169.09 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.586 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -84.04 -38.47 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.586 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -155.33 100.98 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.884 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -121.38 5.18 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 72.0 mt-30 -60.43 169.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 14.8 mt -153.27 176.88 11.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.03 117.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.742 HD23 HG23 ' A' ' 70' ' ' ILE . 7.6 mt -80.16 154.24 28.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -144.89 47.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.973 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.738 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -38.2 124.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.65 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -105.59 -9.59 17.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.39 -163.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.425 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -90.68 154.45 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 50.18 27.47 11.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.961 ' HB2' HD22 ' A' ' 98' ' ' LEU . 1.5 pt-20 -178.27 127.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.761 ' O ' HD23 ' A' ' 98' ' ' LEU . 14.6 m -141.06 166.25 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.602 ' CE2' ' SG ' ' A' ' 97' ' ' CYS . 23.9 m-85 -119.97 105.76 11.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.742 HG23 HD23 ' A' ' 60' ' ' LEU . 5.3 mt -90.26 136.1 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.4 136.68 41.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.461 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 29.6 t -89.67 78.66 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 73' ' ' THR . 15.3 t -64.1 84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 179.32 -44.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.439 ' CG2' ' CG2' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -114.6 -29.24 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.426 ' HA2' ' NZ ' ' A' ' 71' ' ' LYS . . . 97.68 80.48 1.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.21 151.94 19.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 74.2 m-85 -120.46 111.83 18.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tp -44.6 131.57 6.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.661 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -156.26 168.48 27.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.614 ' SD ' HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -142.18 116.65 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.589 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 56.3 m-20 -74.83 174.11 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 p -57.35 -16.67 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.35 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.53 9.15 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.508 ' O ' ' HE3' ' A' ' 81' ' ' MET . . . 51.23 20.7 5.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -96.56 103.61 15.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.997 HD21 HG23 ' A' ' 123' ' ' VAL . 4.7 mp -38.64 132.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.589 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -162.1 159.2 25.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.053 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -120.26 155.52 16.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.64 159.33 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.491 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 7.7 tt0 -79.56 3.97 17.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.6 p -114.87 89.89 20.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HA ' ' SG ' ' A' ' 97' ' ' CYS . 18.2 Cg_endo -75.03 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 3.0 m-80 -147.18 -173.87 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.498 ' HA ' HD12 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -42.78 -27.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 94' ' ' ASN . 50.9 tt0 -73.9 -45.9 47.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.4 p -67.81 -32.94 73.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.961 HD22 ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -51.65 169.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.46 97.56 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.567 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -42.97 105.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -118.22 146.92 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.55 HH21 HD12 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -139.21 -90.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER 178.41 119.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.934 ' CD ' HD21 ' A' ' 145' ' ' LEU . 7.3 tm-20 -92.31 -41.25 10.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.524 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -130.37 -98.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.616 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 15.7 t-20 -161.94 36.12 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 21.4 m170 -165.16 -69.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.734 ' CD2' HD22 ' A' ' 145' ' ' LEU . 24.4 m-85 -51.35 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.607 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 27.7 m120 -151.36 76.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.505 ' CG2' HG13 ' A' ' 144' ' ' ILE . 72.8 p -68.06 98.4 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 13.5 m-85 -79.21 -175.8 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.914 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -166.53 128.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.552 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 8.9 t -34.79 109.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.047 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.567 ' HG2' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -75.01 -28.35 60.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.47 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -67.28 -9.73 43.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.552 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -179.96 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.576 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.544 ' HB1' ' CG2' ' A' ' 112' ' ' ILE . . . -83.08 -3.76 57.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.03 -17.96 55.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -102.29 -0.9 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 68.87 15.63 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 39.1 m0 -49.26 110.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.914 ' CE1' HD11 ' A' ' 112' ' ' ILE . 24.1 m-85 -93.3 178.73 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.997 HG23 HD21 ' A' ' 87' ' ' LEU . 7.5 p -113.9 12.24 8.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -84.54 101.54 2.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.68 HD22 ' C ' ' A' ' 46' ' ' ASP . 1.2 mp -58.82 120.14 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.626 ' O ' ' N ' ' A' ' 128' ' ' ASN . 6.0 tttt -24.51 116.87 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.56 60.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.626 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.1 t-20 -140.77 -43.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.648 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 135.63 56.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.48 144.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 13.7 t -69.9 162.14 28.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.34 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.491 ' CD ' ' HB3' ' A' ' 136' ' ' ARG . 1.2 mttp -129.52 145.36 51.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.73 170.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.608 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -44.43 -60.91 3.45 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CD ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -74.98 52.62 3.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 135' ' ' PRO . 1.0 OUTLIER -164.93 28.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 6.8 p -142.15 98.17 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -141.99 175.2 9.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.655 HD12 ' CE2' ' A' ' 122' ' ' PHE . 3.0 pt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.934 HD21 ' CD ' ' A' ' 104' ' ' GLU . 6.8 mt -67.81 113.34 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.754 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 3.2 m-85 -117.77 116.9 27.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 149' ' ' LEU . 1.3 tm? -106.13 104.27 48.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.513 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.03 144.12 29.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -135.13 62.46 51.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.883 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.02 177.16 8.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.533 ' CE ' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.59 ' CD1' HD21 ' A' ' 149' ' ' LEU . 1.3 pp -153.83 123.62 6.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HG ' ' NZ ' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -69.66 153.4 43.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.406 ' HD1' ' CZ ' ' A' ' 36' ' ' PHE . 41.4 t80 -139.68 118.23 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 137.64 58.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 108.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.449 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 29.4 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 19.9 m80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 50' ' ' ASP . 19.8 m-85 -120.11 104.1 9.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.768 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -46.63 164.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -145.64 -177.75 5.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.652 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -156.25 139.16 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -111.85 144.17 30.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.98 3.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -91.55 -49.2 6.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.45 48.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.494 ' CB ' HD23 ' A' ' 40' ' ' LEU . 1.3 m -141.41 168.61 19.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 110.373 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 1.8 t -146.2 168.19 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 176.41 -169.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.688 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -133.62 172.19 21.69 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.452 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 32.0 m -154.69 123.51 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.43 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -38.46 -43.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -142.61 124.48 15.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.47 123.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -179.67 68.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.453 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 5.4 t0 -144.72 -175.96 4.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.43 ' NE2' ' H ' ' A' ' 55' ' ' HIS . 3.5 pm0 -60.5 -40.11 90.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.43 ' H ' ' NE2' ' A' ' 54' ' ' GLN . 6.1 m-70 -171.03 104.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.495 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -104.45 8.64 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 73' ' ' THR . 32.3 mt-30 -45.16 153.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' A' ' 37' ' ' LEU . 18.1 mt -156.25 172.18 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -178.46 132.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.836 HD23 HG12 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -98.56 163.84 12.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 2.5 t -145.12 56.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -44.01 128.52 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.746 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -118.39 -2.69 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.519 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 158.65 142.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.17 138.89 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.486 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 67.75 14.74 65.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.61 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.9 tt0 -164.13 103.91 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.768 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.004 ' O ' HD23 ' A' ' 98' ' ' LEU . 32.7 m -133.23 170.78 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.546 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 14.1 m-85 -123.2 168.46 12.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.836 HG12 HD23 ' A' ' 60' ' ' LEU . 96.1 mt -145.52 127.18 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.27 103.85 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.502 ' CB ' HG21 ' A' ' 39' ' ' ILE . 1.5 t -64.36 74.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 73' ' ' THR . 13.8 t -45.8 94.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' SER . 2.0 tm-20 166.88 -36.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.9 p -97.56 -102.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.67 39.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.77 -177.14 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 36.3 m-85 -131.53 129.3 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.493 ' HB2' HG22 ' A' ' 70' ' ' ILE . 6.9 tp -45.65 161.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -178.81 175.47 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.409 ' HE2' ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -139.38 113.22 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.534 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 66.3 m-20 -71.71 178.04 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.46 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 33.5 p -58.42 -15.66 11.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -85.9 -6.83 59.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.506 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 67.79 14.19 64.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -90.08 106.81 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 123' ' ' VAL . 6.6 mp -39.15 123.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.534 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 3.4 p90 -148.24 146.14 28.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.84 153.73 31.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.06 133.01 18.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.68 2.88 18.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.454 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 11.5 p -116.09 92.46 35.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.449 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.0 101.45 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -157.19 -152.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.75 68.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.466 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 11.0 tt0 179.95 -43.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.591 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -79.77 -25.65 40.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 108.3 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.004 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -60.52 177.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.717 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -154.24 119.04 4.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -66.59 100.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -83.54 165.58 18.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.35 81.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 102' ' ' ARG . 3.6 tp -29.56 94.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 102' ' ' ARG . 3.6 tm-20 -60.32 -49.88 75.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.2 tt0 -110.35 -105.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.579 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 42.3 p-10 -150.35 43.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 7.9 m170 -177.16 -58.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.917 ' CD2' HD13 ' A' ' 145' ' ' LEU . 9.6 m-85 -64.15 150.37 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 7.8 m-20 -117.86 65.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.536 ' CG2' HG13 ' A' ' 144' ' ' ILE . 69.7 p -53.78 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.584 ' HB2' HG11 ' A' ' 123' ' ' VAL . 5.2 m-85 -80.09 -170.74 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.637 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -161.25 144.91 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.564 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 30.4 t -55.35 88.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.491 ' HA ' HD12 ' A' ' 100' ' ' LEU . 1.6 tttm -56.17 -24.76 43.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.38 -14.85 58.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.565 ' CD2' ' HE3' ' A' ' 115' ' ' LYS . 0.1 OUTLIER 179.97 72.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.602 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.453 ' HB1' HG21 ' A' ' 112' ' ' ILE . . . -82.21 -1.23 48.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.67 -18.1 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.8 OUTLIER -110.33 7.14 22.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER 61.1 23.8 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 31.3 m0 -55.6 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.637 ' CE2' HD11 ' A' ' 112' ' ' ILE . 6.0 m-85 -74.33 -170.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.664 HG23 HD21 ' A' ' 87' ' ' LEU . 4.5 p -131.85 99.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -152.35 159.31 28.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.688 HD13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -115.76 121.12 41.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 128' ' ' ASN . 0.0 OUTLIER -35.6 131.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -68.05 58.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 126' ' ' LYS . 11.1 m120 -150.8 -45.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 138.09 74.65 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.9 140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.975 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 166.86 5.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 108.275 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 136' ' ' ARG . 11.5 tttt -106.99 154.0 21.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 135' ' ' PRO . 0.0 OUTLIER -96.4 152.05 18.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -43.71 -51.38 6.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -75.06 49.13 2.19 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.1 OUTLIER 169.39 38.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -121.89 73.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -138.12 139.05 39.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.175 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.696 ' HB2' HD11 ' A' ' 144' ' ' ILE . 13.9 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.696 HD11 ' HB2' ' A' ' 139' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.917 HD13 ' CD2' ' A' ' 108' ' ' TYR . 4.7 mt -50.63 92.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.494 ' HE2' HG22 ' A' ' 123' ' ' VAL . 1.9 m-85 -95.54 123.92 39.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -107.33 103.02 46.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.56 19.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.7 pp -125.87 79.39 68.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.812 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.97 164.97 32.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.812 HG13 ' O ' ' A' ' 150' ' ' PRO . 1.6 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 4.1 tptt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.778 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -162.28 123.84 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.626 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -88.36 177.24 6.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.672 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 9.6 t80 -175.44 159.66 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.596 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 61.5 m -80.38 120.73 24.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.314 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.608 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 52.3 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.407 ' HB3' ' C ' ' A' ' 48' ' ' THR . 1.7 m80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 32.1 m-85 -123.0 100.16 6.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.894 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -34.6 148.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.55 ' NH2' HG21 ' A' ' 48' ' ' THR . 3.8 ptp180 -149.11 146.72 27.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.489 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -122.82 117.74 52.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.608 HD12 HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -88.07 141.92 31.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 7.83 2.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.2 -28.94 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.35 18.93 5.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.608 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.23 141.99 50.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 110.38 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 79' ' ' LEU . 2.3 t -112.48 169.15 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.794 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 173.61 -171.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.653 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -137.66 145.17 16.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.55 HG21 ' NH2' ' A' ' 38' ' ' ARG . 3.3 m -121.76 126.36 48.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' THR . 12.5 ttm180 -38.6 -34.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -148.9 117.91 6.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.38 120.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.5 p -179.16 68.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 4.4 t0 -140.67 -174.37 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.456 ' NE2' ' CG ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -57.82 -39.09 76.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.518 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 2.4 m-70 -173.99 106.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.626 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -107.89 14.42 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -49.99 149.9 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -147.52 167.64 23.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -174.14 127.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.68 HD23 ' CG1' ' A' ' 70' ' ' ILE . 1.8 mt -93.93 162.42 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.447 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.1 t -144.44 51.61 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.01 125.95 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.716 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -117.35 -1.66 11.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.63 127.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -38.89 144.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.22 5.46 76.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.729 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.0 tt0 -170.59 105.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.839 ' O ' HD23 ' A' ' 98' ' ' LEU . 34.3 m -125.44 169.47 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 17.1 m-85 -117.39 167.93 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.68 ' CG1' HD23 ' A' ' 60' ' ' LEU . 95.1 mt -146.66 128.71 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -132.45 103.57 6.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.489 ' CB ' HG21 ' A' ' 39' ' ' ILE . 6.0 t -63.01 78.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.509 ' O ' ' CG2' ' A' ' 73' ' ' THR . 1.6 t -51.46 110.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.518 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 18.5 tp10 165.58 -42.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.5 HG23 ' OE1' ' A' ' 77' ' ' GLN . 1.5 t -152.87 50.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.395 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.29 85.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.5 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -142.77 127.05 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.32 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 41.0 m-85 -110.06 106.8 16.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.486 ' HB2' HG22 ' A' ' 70' ' ' ILE . 5.6 tp -50.67 146.5 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -163.56 -174.54 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.556 ' HE1' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -151.99 116.59 5.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -77.58 178.23 7.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.588 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 21.6 m -57.73 -16.29 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -89.92 10.7 22.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 47.93 23.03 2.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -94.88 104.6 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.986 HD21 HG23 ' A' ' 123' ' ' VAL . 3.1 mp -39.83 124.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.9 p90 -148.19 169.12 20.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -116.25 146.35 18.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 145.45 33.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -78.83 2.8 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 p -116.57 94.24 42.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 100.24 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.8 m-80 -137.11 -174.27 3.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' ASN . 1.2 mp0 -36.51 -33.4 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 94' ' ' ASN . 7.4 tt0 -65.25 -65.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.7 t -47.57 -36.53 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.326 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.839 HD23 ' O ' ' A' ' 68' ' ' VAL . 2.8 mt -52.27 172.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -154.81 112.29 3.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 111.075 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.598 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -49.52 103.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.707 ' HB2' HG13 ' A' ' 68' ' ' VAL . 1.1 tt0 -87.53 141.44 28.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.629 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -162.13 67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -21.01 95.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.582 ' HG2' HD21 ' A' ' 145' ' ' LEU . 0.7 OUTLIER -50.28 -54.86 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.6 tt0 -113.11 -102.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.543 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.6 t30 -143.78 40.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.4 m170 179.85 -47.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.544 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.651 ' CD2' HD22 ' A' ' 145' ' ' LEU . 2.4 m-85 -71.55 113.49 8.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 7.8 m120 -89.91 49.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.636 ' CG2' HD23 ' A' ' 145' ' ' LEU . 1.1 p -40.67 99.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.671 ' CE2' HG21 ' A' ' 68' ' ' VAL . 5.1 m-85 -88.62 174.15 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.988 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -155.68 132.42 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.611 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 15.7 t -36.19 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.598 ' HG2' HD12 ' A' ' 100' ' ' LEU . 1.9 tmtm? -67.23 -26.08 66.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.484 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -65.63 -11.64 46.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.611 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -179.92 70.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.83 -3.3 53.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -61.2 -19.23 61.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 3.8 mttt -101.91 -1.02 32.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.543 ' O ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 68.87 15.28 8.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.589 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 45.3 m0 -51.15 109.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 108.046 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.988 ' CE1' HD11 ' A' ' 112' ' ' ILE . 29.5 m-85 -90.17 -176.59 4.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.986 HG23 HD21 ' A' ' 87' ' ' LEU . 7.5 p -117.71 22.98 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.501 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -98.02 111.71 4.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.894 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -63.3 114.69 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 128' ' ' ASN . 3.7 tmtt? -23.01 112.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.524 ' CE ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -60.91 62.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.682 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -137.02 -41.51 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.51 50.31 0.1 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 131' ' ' CYS . 1.6 t 169.52 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 110.02 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 125' ' ' LEU . 2.5 t -48.11 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.5 mptt -141.66 158.89 43.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 135' ' ' PRO . 27.0 ptt180 -85.28 164.22 18.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.576 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.15 -58.03 1.05 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.4 Cg_endo -74.96 58.97 5.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 177.28 37.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.432 ' CG2' ' C ' ' A' ' 136' ' ' ARG . 3.6 p -149.31 101.22 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.569 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -143.92 -178.83 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.45 ' O ' ' O ' ' A' ' 138' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.635 HD12 ' CE2' ' A' ' 122' ' ' PHE . 18.1 pt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.651 HD22 ' CD2' ' A' ' 108' ' ' TYR . 11.5 mt -70.44 111.81 6.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.863 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 6.4 m-85 -116.77 135.81 53.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.93 102.64 19.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.6 18.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.613 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.5 pp -132.78 64.57 71.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.641 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.06 -169.37 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HZ1' ' HB2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.2 pp -149.24 109.97 4.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' HZ1' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -63.57 171.31 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 9.0 t80 -165.36 143.23 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.632 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 10.9 m -77.54 149.58 34.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.583 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 2.0 m80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.593 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 82.6 m-85 -109.85 98.52 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.838 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -39.0 132.05 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.506 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 4.5 ptp180 -124.93 173.64 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.644 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.99 143.33 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.644 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -111.65 145.19 32.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.01 2.87 6.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.22 -55.81 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.37 44.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.569 ' CB ' HD23 ' A' ' 40' ' ' LEU . 1.3 m -137.62 168.68 19.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.481 ' N ' ' CG2' ' A' ' 44' ' ' THR . 0.2 OUTLIER -148.04 159.76 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 175.86 -173.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.778 ' HA3' HD22 ' A' ' 125' ' ' LEU . . . -134.71 144.56 16.56 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 4.2 m -116.89 126.64 53.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 110.411 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.579 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -37.52 -36.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.477 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -146.61 120.04 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.593 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.8 114.75 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 52' ' ' SER . 8.8 p -172.52 65.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.506 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.1 t0 -137.07 -175.15 3.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.512 ' CD ' ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -72.11 -17.85 61.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.606 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 1.5 m-70 175.03 110.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.598 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.94 19.3 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -67.92 152.93 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.1 mp -147.91 -173.64 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -178.52 136.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.898 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.492 HD23 HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -102.1 161.81 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 t -145.44 53.55 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.053 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.644 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -39.35 126.41 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.99 1.9 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 172.66 172.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -73.23 149.73 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.625 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 49.42 21.19 2.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.673 ' OE2' HD13 ' A' ' 98' ' ' LEU . 3.4 tt0 -163.59 109.18 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.734 ' O ' HD23 ' A' ' 98' ' ' LEU . 20.8 m -133.67 165.6 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 8.4 m-85 -107.14 178.22 4.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.579 HD12 ' CD2' ' A' ' 99' ' ' PHE . 21.3 mt -156.33 127.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -133.5 107.92 8.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' GLN . 2.0 t -57.83 83.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 73' ' ' THR . 13.8 t -59.32 82.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.606 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 9.0 tp10 -164.08 -53.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.597 HG23 ' OE1' ' A' ' 77' ' ' GLN . 1.8 t -148.53 63.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.424 ' HA2' ' HZ2' ' A' ' 71' ' ' LYS . . . 35.56 92.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.597 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -154.14 141.15 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 93' ' ' PRO . 29.0 m-85 -122.62 109.37 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.571 HD22 ' CD2' ' A' ' 58' ' ' LEU . 4.7 tp -51.52 139.72 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -162.63 178.54 8.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.49 ' HE3' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -140.92 116.11 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -72.78 170.76 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.444 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 5.1 m -56.68 -17.14 7.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.19 2.1 29.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.427 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 60.38 19.05 52.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -102.53 109.77 21.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.774 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.803 HD11 HG23 ' A' ' 123' ' ' VAL . 0.2 OUTLIER -39.48 129.18 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.9 p90 -149.65 170.48 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -112.56 159.03 13.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.32 140.28 19.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 110.042 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -74.82 -1.65 23.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.9 p -116.16 90.94 30.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.468 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.0 97.08 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.54 1.811 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.401 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.2 OUTLIER -130.53 -156.7 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -48.53 -34.31 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.497 ' OE2' ' CD ' ' A' ' 115' ' ' LYS . 7.9 tt0 -64.42 -68.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.559 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.1 t -41.8 -45.91 3.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 108.306 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 68' ' ' VAL . 5.1 mt -44.9 167.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -146.01 112.56 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -58.38 99.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.549 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -83.43 174.19 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.865 ' CZ ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER 177.07 82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.546 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.2 OUTLIER -27.99 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.628 ' CD ' HD22 ' A' ' 145' ' ' LEU . 0.9 OUTLIER -68.4 -37.04 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.2 tt0 -124.46 -107.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.584 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 8.5 t30 -152.29 37.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 17.2 m170 -169.44 -71.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.639 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.646 ' CG ' ' HB3' ' A' ' 145' ' ' LEU . 25.9 m-85 -49.24 -178.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.632 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 88.1 m-20 -148.54 78.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.61 ' CG2' HG13 ' A' ' 144' ' ' ILE . 73.2 p -68.86 96.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.674 ' HE2' HG21 ' A' ' 68' ' ' VAL . 10.5 m-85 -79.79 178.3 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.865 HD12 ' CZ ' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -155.71 129.67 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.482 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 7.6 t -35.86 102.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.594 ' HA ' HD12 ' A' ' 100' ' ' LEU . 12.6 tttm -68.96 -39.26 79.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.497 ' CD ' ' OE2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -53.55 -20.77 5.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.482 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -172.91 73.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.55 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.66 ' HB1' ' CG2' ' A' ' 112' ' ' ILE . . . -86.04 -4.91 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.41 -14.09 25.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -107.72 1.09 22.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER 65.38 23.39 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.566 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 38.7 m0 -59.35 89.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.01 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.923 ' CE2' HD12 ' A' ' 144' ' ' ILE . 11.0 m-85 -66.89 -173.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.803 HG23 HD11 ' A' ' 87' ' ' LEU . 7.7 p -123.37 21.89 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' A' ' 125' ' ' LEU . . . -82.0 -176.2 51.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.778 HD22 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -147.31 116.64 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.737 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 128' ' ' ASN . 35.2 tttt -37.37 128.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.534 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.88 58.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 126' ' ' LYS . 15.2 m120 -132.29 -43.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.583 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 131.49 60.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 131' ' ' CYS . 2.1 m 169.72 134.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.746 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 130' ' ' SER . 2.0 t -47.78 172.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 108.297 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.673 ' HB3' HG22 ' A' ' 137' ' ' THR . 7.8 tttt -116.17 145.35 43.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.602 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -78.66 151.51 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.937 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.512 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -34.97 -67.24 0.29 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.95 54.39 3.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 4.2 mtt180 -175.88 33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.673 HG22 ' HB3' ' A' ' 132' ' ' LYS . 2.2 p -136.31 103.78 5.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.429 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -157.12 136.9 12.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.632 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.784 ' HB2' HD11 ' A' ' 144' ' ' ILE . 6.3 p90 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.923 HD12 ' CE2' ' A' ' 122' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.646 ' HB3' ' CG ' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -55.77 99.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.838 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 2.8 m-85 -89.29 120.4 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.562 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -104.14 104.24 42.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -74.97 135.84 19.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 149' ' ' LEU . 2.7 pp -132.12 74.3 76.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.889 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.98 164.92 32.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 2.5 pp -176.17 146.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -85.48 170.24 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -154.7 127.27 7.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -75.88 120.73 21.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.478 ' OG ' ' CZ ' ' A' ' 108' ' ' TYR . 3.7 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.7 m80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 87.1 m-85 -116.79 103.65 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.93 ' HB3' HD13 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -37.77 132.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 1.4 ptp180 -135.96 160.37 38.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.848 ' CG1' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -156.88 152.12 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.709 HD23 ' CG2' ' A' ' 44' ' ' THR . 0.4 OUTLIER -113.74 139.73 23.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.494 ' CD ' ' OE1' ' A' ' 54' ' ' GLN . 18.3 Cg_endo -75.01 4.94 4.3 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.0 -43.0 11.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.83 44.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.709 ' CG2' HD23 ' A' ' 40' ' ' LEU . 2.0 m -142.73 162.21 36.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.848 HG13 ' CG1' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -151.01 161.19 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.94 -171.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.932 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -125.9 166.32 18.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 26.7 m -143.94 124.42 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.99 -25.06 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.541 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -152.15 128.81 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.561 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -52.96 115.54 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -178.02 68.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.505 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 1.5 t0 -141.41 -175.32 4.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.591 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -57.18 -36.19 70.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.591 ' N ' HE21 ' A' ' 54' ' ' GLN . 0.6 OUTLIER -179.49 108.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.574 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.462 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -111.28 26.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -78.15 124.96 28.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.93 HD13 ' HB3' ' A' ' 37' ' ' LEU . 1.3 mp -138.7 115.07 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 70' ' ' ILE . 10.8 tp-100 -105.74 158.19 16.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.694 HD22 ' OH ' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -107.49 163.45 13.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.0 t -149.96 52.61 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.592 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -44.51 128.98 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -121.98 0.82 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.519 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 161.78 151.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.9 m -57.97 137.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 72.02 6.1 63.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.545 1.153 . . . . 0.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.685 ' HG2' HD13 ' A' ' 98' ' ' LEU . 3.0 tt0 -156.75 101.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.829 ' O ' HD23 ' A' ' 98' ' ' LEU . 21.7 m -131.55 166.55 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.573 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 24.3 m-85 -117.69 167.84 10.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.847 HD12 ' CD2' ' A' ' 99' ' ' PHE . 94.2 mt -144.13 122.46 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.19 130.38 55.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.504 ' O ' ' C ' ' A' ' 73' ' ' THR . 23.3 t -76.09 69.63 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.504 ' C ' ' O ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -29.14 95.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.405 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.53 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 2.0 tm-20 176.18 -70.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -127.34 59.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 30.54 62.84 0.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.451 ' OE1' ' HA ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -99.71 -165.47 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.416 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 32.7 m-85 -161.06 122.48 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.519 ' HB2' HG22 ' A' ' 70' ' ' ILE . 7.2 tp -76.69 138.45 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.666 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -152.79 174.9 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ttm -137.49 119.53 15.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.2 175.43 6.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.597 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 37.6 m -56.41 -17.88 9.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -90.02 13.04 15.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.501 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 50.9 20.69 4.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -94.05 103.48 15.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.946 HD21 ' CG2' ' A' ' 123' ' ' VAL . 8.0 mp -38.18 126.86 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -148.53 158.66 44.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.25 145.19 17.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.78 135.09 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.0 41.5 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.8 p -143.57 90.54 7.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.453 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.96 95.42 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.453 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -160.46 -152.99 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -65.58 72.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 94' ' ' ASN . 9.6 tt0 179.88 -58.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.666 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.3 t -63.66 -35.96 82.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.27 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 68' ' ' VAL . 2.8 mt -45.83 170.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.847 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -149.14 99.62 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.67 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -48.2 100.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 102' ' ' ARG . 4.2 tm-20 -118.95 159.17 24.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.42 ' O ' ' OE2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -151.7 -93.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 102' ' ' ARG . 4.2 tp -176.45 119.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.508 ' HB2' HG21 ' A' ' 110' ' ' THR . 13.2 tm-20 -95.68 -35.57 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.516 ' HG2' ' CE1' ' A' ' 107' ' ' HIS . 2.0 tt0 -130.17 -114.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 1.4 t-20 -137.8 30.13 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.519 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -170.12 -66.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.596 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.932 ' CE2' HD13 ' A' ' 145' ' ' LEU . 7.1 m-85 -38.82 159.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 11.4 m120 -132.37 68.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 104' ' ' GLU . 70.0 p -60.27 99.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.694 ' OH ' HD22 ' A' ' 60' ' ' LEU . 15.6 m-85 -79.53 -178.15 6.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.939 HD11 ' CZ ' ' A' ' 122' ' ' PHE . 19.2 mt -156.97 134.69 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.611 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 8.3 t -48.36 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -55.36 -40.19 70.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -20.91 5.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.611 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -168.02 71.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.583 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.67 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -87.35 -8.29 56.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -58.79 -15.58 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.9 OUTLIER -108.01 3.33 23.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.4 OUTLIER 61.39 30.81 19.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.1 m0 -64.44 86.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 108.034 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.939 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 15.3 m-85 -71.13 -175.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.946 ' CG2' HD21 ' A' ' 87' ' ' LEU . 14.3 p -125.04 108.56 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -157.52 164.17 32.9 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.932 HD13 ' HA3' ' A' ' 47' ' ' GLY . 1.5 mt -119.21 118.58 31.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ASN . 8.4 tttt -33.81 131.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.532 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -68.08 59.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -154.85 -44.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.942 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 136.67 78.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.53 151.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.435 ' HA ' HD23 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -69.48 163.38 25.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.34 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.19 157.38 16.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 149.24 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.621 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -43.33 -53.01 5.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.4 Cg_endo -75.03 49.01 2.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.99 39.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -122.52 61.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -126.92 135.8 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.637 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.744 ' HB2' HD11 ' A' ' 144' ' ' ILE . 11.9 p90 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.744 HD11 ' HB2' ' A' ' 139' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.932 HD13 ' CE2' ' A' ' 108' ' ' TYR . 7.1 mt -51.9 103.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -108.67 118.49 36.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 147' ' ' LEU . 0.6 OUTLIER -110.63 103.64 54.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.524 ' HG3' HD11 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.01 138.91 23.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 149' ' ' LEU . 3.2 pp -124.77 73.45 63.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.891 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.99 163.94 34.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.891 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.65 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -137.69 116.67 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -91.13 154.36 19.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.507 ' H ' HD23 ' A' ' 28' ' ' LEU . 71.9 t80 -144.64 132.98 21.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.57 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -96.08 105.04 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 30' ' ' CYS . 53.6 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 48' ' ' THR . 77.1 m80 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.486 ' O ' ' C ' ' A' ' 37' ' ' LEU . 94.7 m-85 -121.12 97.8 5.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.838 ' HG ' HD11 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -33.72 147.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.527 ' CB ' HG22 ' A' ' 56' ' ' ILE . 7.6 ptp180 -143.68 131.68 21.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.905 HD11 HD13 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -110.18 111.35 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.576 HD12 HG22 ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.86 141.8 33.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 8.98 2.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.447 1.761 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -29.29 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.02 17.05 5.54 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.576 HG22 HD12 ' A' ' 40' ' ' LEU . 1.1 m -119.7 137.7 53.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 110.373 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.453 HG12 ' H ' ' A' ' 46' ' ' ASP . 2.3 t -116.22 169.53 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.607 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 171.43 -171.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.87 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -127.52 154.85 19.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' PHE . 65.4 m -129.37 123.37 31.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -38.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.483 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 2.9 m-20 -144.28 125.45 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.8 103.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 p -155.21 56.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -129.08 -168.53 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.566 ' NE2' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -78.58 -41.25 32.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -159.21 101.55 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.614 179.941 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.827 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.2 pp -119.07 9.69 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 55' ' ' HIS . 11.4 mp0 -58.35 152.76 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.9 mp -145.21 178.17 8.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' OE1' ' CD ' ' A' ' 26' ' ' LYS . 3.7 tp-100 -177.88 153.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.719 HD13 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -113.37 164.25 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.7 t -145.97 56.3 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.65 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -39.77 127.91 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.778 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -118.93 -1.93 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.247 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.13 137.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.14 137.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 72.28 10.85 75.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.76 ' HG2' HD22 ' A' ' 98' ' ' LEU . 2.4 tt0 -163.5 104.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 110.26 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.951 ' O ' HD23 ' A' ' 98' ' ' LEU . 27.7 m -130.3 167.33 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.542 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 8.9 m-85 -116.52 169.63 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.011 HD12 ' CD2' ' A' ' 99' ' ' PHE . 86.2 mt -146.91 125.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -132.11 113.63 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.792 ' HB2' HD13 ' A' ' 39' ' ' ILE . 1.3 t -68.17 71.15 0.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 73' ' ' THR . 14.9 t -50.99 89.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 73' ' ' THR . 2.4 mm-40 159.45 -25.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.2 m -108.5 -29.51 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.81 15.61 57.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.458 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -112.82 -172.85 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 20.9 m-85 -132.46 149.11 52.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.905 HD13 HD11 ' A' ' 39' ' ' ILE . 10.1 tp -86.64 114.65 23.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -137.14 169.4 17.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.01 98.92 4.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.563 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 44.0 m-20 -54.78 170.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.643 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 1.1 p -60.41 -14.21 17.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -72.8 -15.87 61.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.469 ' CA ' ' CZ3' ' A' ' 121' ' ' TRP . . . 79.5 15.17 80.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -113.23 114.22 26.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.869 HD21 HG23 ' A' ' 123' ' ' VAL . 6.7 mp -40.22 134.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.1 p90 -151.02 170.74 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -88.5 147.77 20.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -146.12 113.37 6.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.985 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -0.38 20.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.444 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 11.1 p -116.43 94.6 43.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.459 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.98 100.79 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -158.27 -149.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -65.93 68.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' ASN . 8.4 tt0 179.86 -48.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.5 t -70.75 -37.33 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.951 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -47.63 173.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 1.011 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -148.76 101.2 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.514 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -55.38 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 111' ' ' TYR . 12.9 tm-20 -118.8 167.2 11.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -153.8 -89.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.284 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.838 HD11 ' HA ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER 179.24 125.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.729 ' OE2' HD13 ' A' ' 145' ' ' LEU . 22.5 tt0 -96.17 -33.41 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.602 ' O ' HD21 ' A' ' 103' ' ' LEU . 3.3 mm-40 -130.11 -97.83 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.838 ' HA ' HD11 ' A' ' 103' ' ' LEU . 5.1 t30 -166.99 52.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 4.6 m170 -179.95 -62.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.604 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.592 ' CD2' ' CD1' ' A' ' 145' ' ' LEU . 9.7 m-85 -60.77 -172.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.501 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 6.0 m120 -153.59 84.33 1.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.658 HG21 ' HB2' ' A' ' 104' ' ' GLU . 17.9 p -72.16 102.13 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.719 ' OH ' HD13 ' A' ' 60' ' ' LEU . 13.8 m-85 -78.98 -178.19 5.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.493 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -159.28 114.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 112' ' ' ILE . 23.8 p -33.01 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.581 ' HE3' HD13 ' A' ' 98' ' ' LEU . 4.2 tttm -55.76 -25.26 39.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.643 ' NZ ' HG23 ' A' ' 83' ' ' THR . 0.3 OUTLIER -82.48 -4.81 58.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.743 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -148.29 31.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.602 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.514 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -66.69 -10.85 50.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.96 -22.16 53.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -108.32 3.63 23.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER 56.95 29.43 16.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.886 ' HA ' HG23 ' A' ' 137' ' ' THR . 27.9 m0 -64.16 81.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' A' ' 144' ' ' ILE . 13.0 m-85 -58.37 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.869 HG23 HD21 ' A' ' 87' ' ' LEU . 13.1 p -121.11 109.48 25.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -163.13 150.63 19.67 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.87 HD13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -105.34 125.46 51.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 128' ' ' ASN . 10.7 tttt -35.05 130.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 59.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 126' ' ' LYS . 10.3 m120 -156.55 -43.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 139.81 69.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.5 t 174.71 144.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.972 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.6 178.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.348 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -85.06 -155.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.675 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -156.65 100.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.894 ' O ' HG22 ' A' ' 137' ' ' THR . . . 2.44 -80.56 0.0 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ARG . 18.4 Cg_endo -74.95 58.5 4.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER 169.33 40.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.894 HG22 ' O ' ' A' ' 134' ' ' GLY . 0.5 OUTLIER -135.49 59.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -118.61 134.48 55.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.863 ' HB2' HD11 ' A' ' 144' ' ' ILE . 8.1 p90 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.863 HD11 ' HB2' ' A' ' 139' ' ' TYR . 1.6 pt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.729 HD13 ' OE2' ' A' ' 104' ' ' GLU . 4.1 tp -58.11 82.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.738 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.8 m-85 -89.07 121.31 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 149' ' ' LEU . 0.8 OUTLIER -113.65 106.88 53.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.401 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -74.99 119.83 5.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.456 1.766 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -125.52 73.74 68.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.819 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 168.63 24.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.819 HG13 ' O ' ' A' ' 150' ' ' PRO . 2.3 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.53 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -146.34 118.74 8.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -80.89 164.59 22.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 21.8 t80 -138.82 138.64 37.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.01 136.47 33.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 108.298 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.984 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 27.5 m80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 51.6 m-85 -140.78 105.17 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.76 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -34.89 142.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.744 ' HB2' HG22 ' A' ' 56' ' ' ILE . 3.9 ptp180 -144.9 159.46 42.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.838 HD12 HG13 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -147.61 151.82 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.618 HD23 ' CG2' ' A' ' 44' ' ' THR . 0.5 OUTLIER -109.38 143.14 27.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 3.98 5.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.08 -48.69 7.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.17 45.16 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.618 ' CG2' HD23 ' A' ' 40' ' ' LEU . 1.5 m -143.16 166.07 25.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.838 HG13 HD12 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -143.51 163.93 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 172.27 -171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.47 177.07 17.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.552 1.157 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.505 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 29.9 m -154.24 123.13 6.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -34.94 -40.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -143.41 124.66 14.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HD2' HD13 ' A' ' 27' ' ' LEU . 2.8 ptt180 -47.18 119.49 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 179.98 69.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.497 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -141.14 -175.62 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.743 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 3.3 mp0 -51.86 -47.14 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 3.1 m-70 -169.42 103.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.3 pp -106.83 13.59 8.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -64.95 149.11 50.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -143.31 -172.97 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.537 ' CB ' HG23 ' A' ' 73' ' ' THR . 4.8 tp60 -177.27 134.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.527 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -97.53 161.12 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 t -144.39 51.54 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.422 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.07 126.0 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.76 -2.44 12.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER 159.35 132.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -41.14 137.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.61 -7.21 58.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.847 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.3 tt0 -151.21 104.76 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.965 ' O ' HD23 ' A' ' 98' ' ' LEU . 32.8 m -128.83 166.28 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.56 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 21.1 m-85 -120.23 167.35 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.768 HD12 ' HD2' ' A' ' 99' ' ' PHE . 96.8 mt -143.27 125.62 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.584 ' HZ2' ' HA2' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -124.45 105.85 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.506 ' CB ' ' HG1' ' A' ' 75' ' ' THR . 8.8 t -55.91 86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.537 HG23 ' CB ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -56.2 83.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 0.0 110.399 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.4 mm-40 159.84 -48.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.775 HG21 HG23 ' A' ' 39' ' ' ILE . 40.4 p -80.92 -11.77 59.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.584 ' HA2' ' HZ2' ' A' ' 71' ' ' LYS . . . 68.18 4.74 37.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -102.0 -164.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 58.5 m-85 -131.54 159.5 38.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.793 HD13 ' H ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -89.7 154.56 19.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.793 ' H ' HD13 ' A' ' 79' ' ' LEU . . . -173.54 174.28 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.584 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -136.26 96.54 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.575 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 58.4 m-20 -49.32 169.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.491 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 1.4 p -60.27 -14.03 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 21.07 3.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 44.9 25.02 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tt -104.34 108.06 19.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.652 HD21 HG23 ' A' ' 123' ' ' VAL . 8.1 mp -39.87 122.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.543 ' CG ' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -150.52 162.03 41.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 110.999 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -114.14 158.7 14.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.15 161.05 39.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -88.21 39.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.2 p -145.35 91.96 5.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 97' ' ' CYS . 18.3 Cg_endo -74.96 85.95 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.422 HD22 ' N ' ' A' ' 94' ' ' ASN . 2.2 m-80 -129.3 -175.05 3.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER -38.68 -34.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.239 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -64.83 -65.56 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.679 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -50.16 -28.86 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.965 HD23 ' O ' ' A' ' 68' ' ' VAL . 1.2 mt -64.73 168.25 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.768 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -145.26 100.63 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.482 HD12 ' HG3' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -43.13 101.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.936 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.477 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER -110.1 145.76 36.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.808 HH21 HD12 ' A' ' 112' ' ' ILE . 3.0 ptt180 -142.12 -94.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.76 121.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.986 ' OE2' HD21 ' A' ' 145' ' ' LEU . 3.9 tm-20 -95.93 -45.54 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 3.2 mm-40 -129.96 -103.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.557 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 2.2 t30 -161.78 42.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.557 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -162.94 -51.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.619 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 1.073 ' CE2' HD23 ' A' ' 145' ' ' LEU . 4.5 m-85 -81.57 -171.65 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.606 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 5.1 m120 -152.14 65.8 0.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 104' ' ' GLU . 41.2 p -48.53 121.22 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.606 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 3.0 m-85 -106.12 171.59 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.005 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.9 OUTLIER -150.63 120.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 17.1 t -37.6 102.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HG3' HD12 ' A' ' 100' ' ' LEU . 20.0 tttm -59.72 -27.39 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.97 -26.06 68.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.608 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -155.59 64.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.627 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -89.28 -9.8 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.65 -7.58 45.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -111.77 -1.9 15.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.23 42.21 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 44.1 m0 -84.0 77.53 9.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.046 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 1.005 ' CE1' HD11 ' A' ' 112' ' ' ILE . 15.6 m-85 -54.52 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.652 HG23 HD21 ' A' ' 87' ' ' LEU . 12.6 p -117.09 22.0 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.478 ' HA3' ' CG2' ' A' ' 144' ' ' ILE . . . -88.26 104.39 3.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.76 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -59.96 125.02 22.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -30.79 123.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.448 ' HD3' ' C ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.1 58.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.1 t-20 -141.41 -43.65 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.56 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 127.11 67.43 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.89 132.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.621 ' SG ' HD23 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -64.89 159.53 22.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.287 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -116.22 -179.41 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.36 140.45 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.4 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 62.2 -140.48 46.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.448 ' O ' ' NE ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.01 77.09 3.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.448 ' NE ' ' O ' ' A' ' 135' ' ' PRO . 0.4 OUTLIER -160.07 26.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.455 ' H ' ' CE1' ' A' ' 138' ' ' HIS . 0.7 OUTLIER -152.36 92.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.455 ' CE1' ' H ' ' A' ' 137' ' ' THR . 0.6 OUTLIER -140.91 -170.41 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.564 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.426 ' CD1' ' CD1' ' A' ' 144' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.65 HG13 HD12 ' A' ' 145' ' ' LEU . 5.2 pt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 1.073 HD23 ' CE2' ' A' ' 108' ' ' TYR . 10.7 mp -68.77 85.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.441 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 4.8 m-85 -91.32 119.31 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.479 ' HA ' HD22 ' A' ' 147' ' ' LEU . 0.7 OUTLIER -101.37 108.11 53.74 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -74.98 128.48 11.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.629 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.8 pp -132.92 66.06 75.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.887 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.96 167.27 27.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.686 HD13 ' CD1' ' A' ' 36' ' ' PHE . 1.7 pp -174.04 126.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.234 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -84.17 156.13 22.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 30' ' ' CYS . 45.2 t80 -155.65 136.94 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.629 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -76.24 165.63 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 108.289 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CD1' HD13 ' A' ' 27' ' ' LEU . 92.8 m-85 -141.06 84.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.752 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -35.77 153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.35 158.33 43.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.599 HD12 ' CG ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -125.08 107.03 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -87.42 141.96 32.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 8.83 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.36 -31.65 13.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.14 21.46 4.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.685 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -121.04 131.35 54.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 0.741 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.535 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -110.72 166.29 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.59 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 175.73 -172.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.45 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -132.78 138.18 9.95 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.475 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 78.7 m -115.91 123.48 48.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -40.49 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -128.22 113.34 15.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.589 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -51.19 121.48 6.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.43 ' O ' ' OG ' ' A' ' 52' ' ' SER . 0.7 OUTLIER 179.45 70.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' CG ' ' OE1' ' A' ' 54' ' ' GLN . 22.8 t0 -140.75 -176.78 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.556 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 3.3 pm0 -52.73 -40.08 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 54' ' ' GLN . 18.5 m-70 -173.45 106.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.63 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -110.61 16.54 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.405 ' OE1' HG23 ' A' ' 73' ' ' THR . 0.3 OUTLIER -67.35 128.5 36.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -121.26 172.42 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 2.0 tp-100 -169.91 139.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD13 ' OH ' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -101.21 161.22 13.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.5 t -145.74 52.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -42.49 126.77 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.792 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -115.98 -2.85 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.0 130.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -39.12 142.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.24 4.22 67.87 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.692 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.5 tt0 -165.23 103.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.319 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.885 HG21 ' CE2' ' A' ' 111' ' ' TYR . 35.8 m -128.41 168.02 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 16.5 m-85 -117.45 166.1 12.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.531 HD12 ' CD2' ' A' ' 99' ' ' PHE . 70.2 mt -145.6 130.0 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.8 128.0 29.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.521 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 16.2 t -82.09 70.09 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 73' ' ' THR . 11.8 t -38.53 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.527 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 175.54 -51.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 75' ' ' THR . 15.1 t -138.01 46.08 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 37.01 48.61 1.42 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.599 ' CG ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -109.56 114.1 27.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 51.4 m-85 -91.73 154.93 18.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 79' ' ' LEU . 8.7 tp -97.74 144.99 26.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.729 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -166.24 -178.62 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.648 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -143.04 115.15 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.574 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 34.5 m-20 -73.16 170.96 13.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 m -55.62 -18.08 6.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.88 7.66 20.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 55.32 17.85 12.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -96.39 105.54 17.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.648 HD12 ' HG3' ' A' ' 81' ' ' MET . 3.4 mp -38.62 134.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.574 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.6 p90 -161.73 164.4 29.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -116.58 164.0 12.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.99 153.41 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 10.7 tt0 -78.7 2.89 18.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.2 p -116.1 90.6 29.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.459 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.03 109.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 3.0 m-80 -148.55 -172.85 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 98' ' ' LEU . 1.9 mp0 -37.77 -31.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 94' ' ' ASN . 4.6 tt0 -66.86 -59.07 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.729 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 17.3 t -60.2 -26.0 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.294 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.0 mt -59.95 174.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -153.61 114.3 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.596 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -57.19 101.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 6.9 tt0 -78.81 162.7 25.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.73 86.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.558 HD21 ' N ' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -35.76 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.8 tm-20 -52.67 -43.27 65.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -126.56 -104.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.569 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 7.0 t30 -137.55 24.09 2.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 69.7 m-70 -165.81 -66.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.988 ' CD2' HD23 ' A' ' 145' ' ' LEU . 23.3 m-85 -49.91 131.07 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.625 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 10.0 m120 -109.1 80.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.555 ' CG2' HG13 ' A' ' 144' ' ' ILE . 57.9 p -72.87 96.87 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.885 ' CE2' HG21 ' A' ' 68' ' ' VAL . 18.0 m-85 -79.62 179.63 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.931 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -157.3 136.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.648 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 5.8 t -38.34 106.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.596 ' HG2' HD12 ' A' ' 100' ' ' LEU . 3.4 tmtm? -74.1 -16.31 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.485 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -80.24 -8.99 59.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.648 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.87 63.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 112' ' ' ILE . . . -76.31 -10.36 59.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -59.34 -15.43 16.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.549 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -101.57 -3.2 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.07 19.61 7.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 45.9 m0 -59.23 108.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.931 ' CE1' HD11 ' A' ' 112' ' ' ILE . 16.4 m-85 -88.9 178.85 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.585 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 7.5 p -112.34 9.64 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.54 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -85.79 102.97 2.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.752 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.8 121.48 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 128' ' ' ASN . 20.0 tttt -23.76 117.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.62 60.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.622 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.8 t-20 -140.13 -44.66 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.516 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 131.54 59.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.54 125.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 1.7 t -45.04 162.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -134.78 133.95 40.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -58.8 163.83 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -40.49 -56.84 2.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.3 Cg_endo -74.99 54.97 3.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.465 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -174.35 33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 7.6 p -145.51 96.55 2.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.427 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.1 OUTLIER -143.6 171.2 14.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.45 ' CD1' HD11 ' A' ' 144' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.606 HD12 ' CE2' ' A' ' 122' ' ' PHE . 2.4 pt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.988 HD23 ' CD2' ' A' ' 108' ' ' TYR . 8.3 mp -72.92 93.39 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.617 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 9.8 m-85 -100.37 121.46 41.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -106.98 103.89 49.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.4 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.2 Cg_endo -74.99 135.56 19.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.803 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.83 ' O ' HD12 ' A' ' 149' ' ' LEU . 3.1 pp -131.31 66.66 79.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.881 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.96 167.24 27.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 2.4 mttt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.02 0.11 9.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE3' ' CA ' ' A' ' 27' ' ' LEU . 1.9 tptt -172.82 138.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.798 HD11 HD11 ' A' ' 149' ' ' LEU . 1.0 OUTLIER -168.48 150.03 4.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.898 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -109.51 157.71 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.533 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 67.4 t80 -143.32 145.41 32.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -93.64 143.73 26.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 108.306 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 2.7 t -54.64 -94.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 33' ' ' GLY . 2.6 t30 -63.76 -55.04 26.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -34.19 -40.55 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.533 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 62.46 11.54 35.07 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 2.8 m80 -92.38 173.51 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 109.603 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 74.4 m-85 -133.1 99.06 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.795 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -37.61 150.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.519 ' NH2' HG21 ' A' ' 48' ' ' THR . 6.1 ptp180 -146.82 144.32 29.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.82 HD12 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -118.1 116.23 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.701 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -87.12 142.13 33.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.04 8.39 2.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.84 -28.09 16.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.22 24.94 3.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.701 ' HB ' HD12 ' A' ' 40' ' ' LEU . 2.3 m -125.68 145.34 50.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.82 HG13 HD12 ' A' ' 39' ' ' ILE . 2.1 t -118.07 169.64 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.446 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER 172.41 -171.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.622 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -135.89 142.69 14.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.519 HG21 ' NH2' ' A' ' 38' ' ' ARG . 21.9 m -117.12 124.72 49.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.499 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -43.12 -26.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.237 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -152.47 118.01 5.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.62 120.59 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 179.9 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 3.0 t0 -142.52 -176.65 4.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.437 ' NE2' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -54.62 -45.01 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 7.8 m-70 -168.9 103.17 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.567 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -106.61 16.74 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 151.47 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 37' ' ' LEU . 9.7 mt -141.15 170.57 15.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 5.2 tp-100 -176.93 142.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.969 HD23 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -109.91 160.65 16.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' TYR . 3.3 t -144.87 55.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.623 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -41.41 131.86 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.793 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -124.16 -0.88 8.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.538 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 159.6 136.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.43 141.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 67.71 11.04 59.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.722 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.7 tt0 -163.51 101.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.851 ' O ' HD23 ' A' ' 98' ' ' LEU . 25.2 m -131.11 167.48 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.548 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 22.6 m-85 -115.87 165.34 13.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 59' ' ' GLN . 6.0 mt -147.71 127.68 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.661 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -134.52 114.51 12.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.661 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 6.3 t -66.78 71.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.513 ' O ' ' CG2' ' A' ' 73' ' ' THR . 2.1 t -38.13 109.96 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.427 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.594 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.4 mm-40 168.56 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.08 -24.18 9.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.43 47.37 1.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 1.1 mt-30 -109.61 115.37 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 43.7 m-85 -85.79 118.29 25.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.038 HD11 HD23 ' A' ' 87' ' ' LEU . 8.9 tp -59.84 106.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -130.42 176.76 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.594 ' CE ' HD12 ' A' ' 87' ' ' LEU . 1.2 ttt -139.02 105.77 5.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.623 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 22.7 m-20 -64.52 166.69 8.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 78.1 m -51.77 -20.41 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.07 -11.88 61.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.461 ' O ' ' CE ' ' A' ' 81' ' ' MET . . . 72.3 21.42 79.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.788 HD12 ' HD3' ' A' ' 133' ' ' ARG . 4.8 tt -111.18 122.67 48.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.038 HD23 HD11 ' A' ' 79' ' ' LEU . 1.5 mp -46.88 126.55 8.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.3 p90 -148.39 169.21 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -91.36 149.76 20.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.53 112.64 6.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 0.726 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -3.72 26.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.439 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 7.5 p -115.15 99.51 52.42 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.06 102.04 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.8 OUTLIER -157.07 -153.18 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.68 69.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' ASN . 3.8 tt0 -179.11 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.525 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -72.79 -33.3 66.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 68' ' ' VAL . 2.3 mt -52.31 170.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -150.54 98.0 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.47 HD23 ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -41.85 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 68' ' ' VAL . 17.9 tt0 -112.35 143.41 43.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.752 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -142.8 -95.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -175.87 119.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.536 ' HG3' HD21 ' A' ' 145' ' ' LEU . 5.0 tp10 -97.02 -46.48 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -120.66 -103.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.574 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.8 t30 -167.36 47.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 13.9 m170 -172.04 -64.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.591 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.597 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 8.6 m-85 -59.72 -156.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.573 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 7.6 m120 -163.69 77.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 104' ' ' GLU . 71.2 p -68.36 110.37 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.969 ' OH ' HD23 ' A' ' 60' ' ' LEU . 12.2 m-85 -86.48 -168.5 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.752 HD12 ' NH2' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -160.68 114.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.469 ' OG ' ' ND1' ' A' ' 116' ' ' HIS . 31.7 t -37.62 95.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 112' ' ' ILE . 1.2 tttm -59.72 -15.53 20.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.472 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -78.52 -19.73 52.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.623 ' CE1' ' O ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -153.87 55.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.2 -21.18 60.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -63.07 -17.86 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -110.74 0.03 17.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.1 m120 53.73 50.9 16.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.788 ' HA ' HG23 ' A' ' 137' ' ' THR . 39.9 m0 -85.44 81.11 8.86 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CD2' HD12 ' A' ' 144' ' ' ILE . 16.5 m-85 -55.96 179.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.721 HG23 HD11 ' A' ' 87' ' ' LEU . 7.1 p -113.88 96.47 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 131' ' ' CYS . . . -148.25 -176.57 21.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.674 HD11 ' HG ' ' A' ' 37' ' ' LEU . 1.1 mp -142.81 126.81 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 128' ' ' ASN . 6.6 tttt -36.46 128.34 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.476 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.85 59.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 126' ' ' LYS . 2.8 m120 -150.05 -44.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 135.63 64.31 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 m 169.92 114.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.454 ' HB2' HD23 ' A' ' 125' ' ' LEU . 1.2 t -58.41 -178.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 -167.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.788 ' HD3' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -170.12 110.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.545 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 94.17 -143.37 16.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.503 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.04 93.28 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 169.39 41.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.788 HG23 ' HA ' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -148.95 59.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.492 ' C ' ' O63' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -120.56 130.78 54.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.711 ' CB ' HD11 ' A' ' 144' ' ' ILE . 5.3 p90 -49.7 -177.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 150.48 -18.7 1.02 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.465 ' C ' ' CD ' ' A' ' 142' ' ' LYS . 0.1 OUTLIER -133.89 -90.29 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.719 ' HA ' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -178.4 60.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.829 ' HB3' ' C5 ' ' A' ' 178' ' ' NTS . . . -120.59 10.89 11.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.711 HD11 ' CB ' ' A' ' 139' ' ' TYR . 2.4 pt -121.74 -26.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 142' ' ' LYS . 1.1 mt -52.88 91.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.898 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.8 m-85 -88.98 119.89 29.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.52 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -102.37 106.83 50.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 134.29 17.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.798 HD11 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -133.99 63.94 64.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.885 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.05 164.9 32.35 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -172.22 56.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 11.7 t -56.75 87.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.951 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 151' ' ' VAL . 22.9 t -143.13 76.94 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.962 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.829 ' C5 ' ' HB3' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.62 2.46 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 1.8 tptt -146.54 147.79 31.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.482 HD21 ' NH2' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -163.24 129.53 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.37 162.18 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 59.3 t80 -153.39 129.9 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 151.94 39.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.417 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 5.6 t -61.14 -90.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -64.26 -68.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -35.76 -33.71 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.574 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 56.92 16.31 17.25 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -71.1 173.07 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.57 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 62.3 m-85 -137.69 102.95 4.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' HG ' HD21 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -38.42 145.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.49 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.3 OUTLIER -143.86 123.81 13.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.882 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.9 OUTLIER -110.55 146.47 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.682 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -114.2 138.14 22.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.48 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.02 7.28 2.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.04 -43.33 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.41 49.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.503 HG22 HD23 ' A' ' 40' ' ' LEU . 1.9 m -149.95 164.59 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 110.394 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.523 HG11 HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -149.25 158.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -175.84 -159.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.18 146.84 17.56 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.49 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.1 m -126.24 129.13 48.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.737 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.24 -44.16 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 51' ' ' ARG . 4.4 m-20 -134.26 107.66 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -34.31 123.0 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 179.75 69.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . 13.4 t0 -141.08 -176.03 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.724 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 3.4 mp0 -55.69 -45.82 77.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.507 ' CE1' ' HG3' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -166.28 102.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.61 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.844 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -107.29 6.28 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' NE2' ' CE1' ' A' ' 55' ' ' HIS . 2.4 mt-30 -48.9 149.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 56' ' ' ILE . 0.9 OUTLIER -144.87 177.52 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 70' ' ' ILE . 17.8 tp60 -175.79 153.47 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.828 HD23 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -120.27 158.67 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.3 t -145.57 49.83 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.651 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -37.95 126.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.434 ' HG2' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.73 -2.32 12.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.305 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 166.23 176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 65' ' ' VAL . 4.0 m -74.13 152.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.671 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 49.85 24.13 5.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.839 ' HG2' HD12 ' A' ' 98' ' ' LEU . 5.0 tt0 -172.2 109.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 62' ' ' ALA . 9.5 m -136.76 168.5 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.973 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 17.2 m-85 -111.21 170.43 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.531 HG22 ' HB2' ' A' ' 79' ' ' LEU . 13.3 mt -155.92 128.13 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.744 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -135.23 126.49 28.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.882 ' CB ' HG21 ' A' ' 39' ' ' ILE . 4.5 t -70.93 90.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.487 HG21 ' OE1' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -49.67 90.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.507 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 2.5 tt0 -171.02 -70.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.48 HG21 ' HB3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -114.78 -42.31 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.461 ' HA2' ' HZ3' ' A' ' 71' ' ' LYS . . . 136.04 49.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.453 1.095 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.546 ' N ' ' HZ3' ' A' ' 71' ' ' LYS . 2.3 mt-30 -105.3 115.65 30.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 49.0 m-85 -87.05 128.03 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.622 HD11 HD23 ' A' ' 87' ' ' LEU . 8.4 tp -69.75 109.93 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -130.54 172.28 12.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ttm -135.73 119.36 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -75.9 -177.09 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.9 m -62.48 -12.5 22.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -89.91 -1.99 58.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.489 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 63.13 14.6 54.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -93.35 107.85 19.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.622 HD23 HD11 ' A' ' 79' ' ' LEU . 5.5 mp -39.34 128.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 4.2 p90 -150.21 166.21 30.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -80.86 153.49 34.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.117 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.66 113.24 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.95 2.66 16.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.6 p -115.18 96.18 44.6 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.461 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.95 101.57 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.56 ' O ' HD23 ' A' ' 98' ' ' LEU . 1.3 m-80 -164.37 -150.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.54 59.92 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' ASN . 3.9 tt0 -167.83 -41.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -84.3 -19.95 32.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.973 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 2.9 mm? -64.14 167.36 6.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.497 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -146.91 97.44 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.671 HD23 ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -41.94 101.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.556 ' OE1' HG11 ' A' ' 68' ' ' VAL . 3.6 tm-20 -112.45 143.2 43.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.596 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -140.49 -98.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -178.37 121.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 104' ' ' GLU . 4.4 tp10 -96.93 -61.56 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -103.13 -109.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.608 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 7.3 m120 -161.63 45.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 19.5 m170 -167.69 -60.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.625 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.612 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 6.4 m-85 -66.74 -154.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.622 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 67.6 m-20 -169.93 86.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.482 ' CG2' HG13 ' A' ' 144' ' ' ILE . 75.6 p -71.42 124.19 24.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.363 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.828 ' OH ' HD23 ' A' ' 60' ' ' LEU . 13.5 m-85 -99.24 -173.38 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.734 HD11 ' CE1' ' A' ' 122' ' ' PHE . 1.2 mt -159.47 134.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.461 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 9.9 t -47.43 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.476 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 1.8 tttm -63.98 -16.86 62.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.664 ' CE ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -73.89 -17.9 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.664 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -172.93 66.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.509 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -74.86 -13.99 60.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.32 -15.68 11.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.564 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -105.11 1.05 28.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 137' ' ' THR . 29.0 m120 59.25 41.14 20.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 41.3 m0 -76.43 104.71 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.734 ' CE1' HD11 ' A' ' 112' ' ' ILE . 15.2 m-85 -86.75 174.89 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.588 HG23 HD21 ' A' ' 87' ' ' LEU . 7.8 p -111.98 63.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.31 133.08 10.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -99.04 122.42 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 125' ' ' LEU . 50.9 tttt -35.98 131.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.518 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -69.34 58.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 126' ' ' LYS . 2.6 m120 -148.36 -45.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 136.52 67.31 0.06 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 t 175.27 133.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.966 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.43 170.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.64 168.08 9.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.5 OUTLIER -106.15 141.84 36.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.621 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.06 -56.8 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.07 49.63 2.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.1 38.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -123.3 66.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.531 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -133.49 135.46 44.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.6 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.673 ' CB ' HD11 ' A' ' 144' ' ' ILE . 26.8 p90 -57.37 -179.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 159.29 -24.29 0.32 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.562 ' HB2' ' C10' ' A' ' 178' ' ' NTS . 0.8 OUTLIER -129.19 -85.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.27 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.423 ' CD ' ' C ' ' A' ' 141' ' ' GLN . 0.0 OUTLIER 179.57 37.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.687 ' HB2' ' C4 ' ' A' ' 178' ' ' NTS . . . -94.66 14.45 21.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.673 HD11 ' CB ' ' A' ' 139' ' ' TYR . 2.3 pt -125.97 -25.0 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.662 HD23 ' N ' ' A' ' 145' ' ' LEU . 0.7 OUTLIER -53.06 91.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 123' ' ' VAL . 2.1 m-30 -92.19 120.5 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.497 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.7 OUTLIER -101.69 107.74 52.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 125.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.033 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.2 pp -130.67 68.53 81.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.846 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.98 165.0 32.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.846 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.9 OUTLIER -165.83 51.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.4 t -60.86 82.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 151' ' ' VAL . 33.6 t -129.25 57.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.687 ' C4 ' ' HB2' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 137.6 21.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HG3' ' CA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -174.55 146.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.893 ' HG ' HD11 ' A' ' 149' ' ' LEU . 2.2 pp -148.74 111.46 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -53.57 158.0 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.495 ' HD1' ' CZ ' ' A' ' 36' ' ' PHE . 43.5 t80 -146.45 131.64 18.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -71.56 128.06 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.6 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 30.5 t -44.47 -96.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.528 ' HB3' ' CD ' ' A' ' 142' ' ' LYS . 0.7 OUTLIER -81.75 -16.56 50.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.09 -40.87 99.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 49' ' ' ARG . . . 76.34 -2.98 55.51 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.458 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 63.8 m80 -79.56 167.33 20.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.584 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.587 ' CE2' ' HG3' ' A' ' 51' ' ' ARG . 52.5 m-85 -137.04 102.68 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.78 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -44.72 162.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.09 172.0 16.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.586 HD13 ' HB3' ' A' ' 72' ' ' SER . 0.2 OUTLIER -149.94 112.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.827 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -88.47 140.59 30.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 8.91 2.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -94.42 -30.61 14.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.28 30.99 1.61 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.827 ' HB ' HD12 ' A' ' 40' ' ' LEU . 2.9 m -130.2 145.06 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 46' ' ' ASP . 3.0 t -120.99 171.97 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.553 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.46 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.629 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -136.46 138.99 10.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' PHE . 1.2 m -111.33 126.18 54.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 34' ' ' GLY . 1.4 ttt180 -52.75 -46.38 67.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 51' ' ' ARG . 3.4 m-20 -128.13 100.22 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.587 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -30.93 118.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t 179.45 69.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -139.96 -173.57 3.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.477 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -58.03 -43.21 86.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.477 ' N ' HE21 ' A' ' 54' ' ' GLN . 14.1 m-70 -169.98 104.52 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.617 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.577 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -110.19 17.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -74.02 134.28 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 56' ' ' ILE . 3.7 mp -127.08 -177.68 4.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 70' ' ' ILE . 6.2 tp-100 -173.13 150.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.59 HD23 HG12 ' A' ' 70' ' ' ILE . 0.6 OUTLIER -109.42 163.82 13.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.8 t -145.5 54.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.043 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . . . -39.35 126.6 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.961 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -119.0 -0.88 11.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.76 135.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.414 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -43.13 135.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.53 -2.78 61.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.82 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.2 tt0 -149.96 103.72 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 0.801 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.896 ' O ' HD23 ' A' ' 98' ' ' LEU . 28.4 m -128.12 163.97 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.523 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 10.5 m-85 -116.71 169.9 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.668 HD12 ' CD2' ' A' ' 99' ' ' PHE . 87.1 mt -146.46 128.0 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -137.57 108.55 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.586 ' HB3' HD13 ' A' ' 39' ' ' ILE . 4.9 t -65.48 88.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 73' ' ' THR . 12.9 t -59.62 100.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 75' ' ' THR . 10.7 pt-20 -176.82 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 4.4 t -122.39 -32.94 3.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.54 46.79 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.14 122.03 42.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 52.4 m-85 -83.9 152.38 24.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.572 ' HB2' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -93.26 127.34 38.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -147.23 -166.5 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.481 ' HE2' ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -152.36 93.64 1.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.596 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 63.1 m-20 -46.59 171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.576 HG23 ' NE2' ' A' ' 116' ' ' HIS . 1.5 m -71.61 -10.96 60.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.28 -5.78 53.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.481 ' O ' ' HE2' ' A' ' 81' ' ' MET . . . 76.15 20.71 77.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.533 HD23 ' N ' ' A' ' 87' ' ' LEU . 2.6 tt -113.0 122.22 46.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.533 ' N ' HD23 ' A' ' 86' ' ' LEU . 3.0 mp -50.15 125.78 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -150.82 166.05 31.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.01 147.59 17.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.7 t -135.4 148.32 49.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.54 0.74 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.471 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.0 p -117.84 88.75 31.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.485 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -74.97 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -153.02 -151.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.33 69.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 94' ' ' ASN . 22.1 tt0 179.99 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.572 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.0 t -80.56 -32.7 36.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.961 HD21 ' HG2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -53.21 175.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.712 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -152.58 122.34 6.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 100.94 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.8 OUTLIER -80.21 134.11 36.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.567 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.5 OUTLIER -144.48 74.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.567 ' C ' ' O ' ' A' ' 102' ' ' ARG . 14.1 tp -27.34 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -57.07 -42.98 81.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.6 tt0 -130.23 -105.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 6.1 t30 -138.36 38.43 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.688 ' HB3' HD23 ' A' ' 147' ' ' LEU . 13.2 m-70 179.99 -67.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 1.014 ' CD2' HD23 ' A' ' 145' ' ' LEU . 10.4 m-85 -53.58 102.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 15.3 m-20 -82.86 65.8 8.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.8 p -48.39 97.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 101' ' ' GLU . 12.2 m-85 -81.53 -174.48 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.999 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -166.82 125.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 112' ' ' ILE . 11.2 t -35.44 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 112' ' ' ILE . 25.7 tttm -56.71 -18.6 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -90.61 -2.22 57.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.772 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 11.8 m-70 -152.94 39.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.605 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.2 -16.36 62.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.74 -25.39 53.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.3 -2.88 32.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 66.67 25.14 9.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.772 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 22.8 m0 -62.94 82.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.037 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.999 ' CE1' HD11 ' A' ' 112' ' ' ILE . 15.7 m-85 -60.73 -171.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.667 ' O ' HG22 ' A' ' 123' ' ' VAL . 3.8 p -128.42 19.68 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.429 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -85.98 113.44 3.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.78 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -68.26 120.79 14.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.627 ' O ' ' N ' ' A' ' 128' ' ' ASN . 1.5 tttt -20.89 114.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.26 61.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.6 t-20 -150.56 -41.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.458 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.63 69.1 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.72 135.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 132' ' ' LYS . 42.1 t -52.49 157.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.443 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 0.8 OUTLIER -126.31 159.14 33.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.472 ' CB ' ' HD2' ' A' ' 135' ' ' PRO . 0.3 OUTLIER -92.8 154.17 18.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -44.24 -50.51 7.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.3 Cg_endo -75.01 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 170.4 39.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 2.7 p -140.27 104.58 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.425 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.584 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -145.64 -177.02 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.605 ' CD2' ' O63' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -56.11 -158.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 42.62 22.0 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.678 ' O ' ' N ' ' A' ' 143' ' ' ALA . 1.7 mp0 -128.01 83.06 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 110.238 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.849 ' HA ' HD13 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -35.39 -24.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.678 ' N ' ' O ' ' A' ' 141' ' ' GLN . . . -50.93 -40.83 58.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.629 HD12 ' CE2' ' A' ' 122' ' ' PHE . 19.9 pt -68.13 -33.19 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 1.014 HD23 ' CD2' ' A' ' 108' ' ' TYR . 4.7 mp -65.98 111.83 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' A' ' 143' ' ' ALA . 17.6 m-85 -124.44 126.03 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' ' 107' ' ' HIS . 2.3 tm? -117.22 105.27 49.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.62 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.4 Cg_endo -74.95 137.38 21.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.893 HD11 ' HG ' ' A' ' 27' ' ' LEU . 3.0 pp -123.14 79.04 52.02 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.882 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.1 Cg_endo -75.07 -178.6 4.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -177.22 38.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.4 t -60.7 84.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.0 t -152.31 81.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.934 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.613 ' C6 ' HD11 ' A' ' 145' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' CB ' ' OE1' ' A' ' 57' ' ' GLN . 1.3 mttt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.91 ' HB2' HG23 ' A' ' 151' ' ' VAL . 18.5 Cg_endo -74.93 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.42 1.747 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CE ' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -173.99 132.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CE ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -167.27 157.52 11.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.14 151.14 22.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.596 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 90.0 t80 -132.37 127.3 35.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.13 148.44 26.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 108.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 1.6 t -45.09 -94.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.491 ' ND2' ' N ' ' A' ' 33' ' ' GLY . 1.4 t30 -74.73 164.16 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.491 ' N ' ' ND2' ' A' ' 32' ' ' ASN . . . 81.98 -48.59 3.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.617 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 85.88 16.32 63.6 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' HA ' ' O ' ' A' ' 48' ' ' THR . 56.1 m80 -63.58 136.87 57.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.602 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 34' ' ' GLY . 51.4 m-85 -109.77 97.67 7.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.675 ' HG ' HD21 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -37.44 133.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.738 ' NH2' HG21 ' A' ' 48' ' ' THR . 3.8 ptp180 -131.7 169.21 16.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.536 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -140.28 116.78 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.715 HD12 HG22 ' A' ' 44' ' ' THR . 0.9 OUTLIER -85.22 141.51 37.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.575 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.97 10.85 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.819 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.56 -28.62 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.57 17.68 4.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.715 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.05 128.33 51.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.392 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.543 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -106.99 166.72 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.649 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 169.85 -172.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.813 ' HA3' HD22 ' A' ' 125' ' ' LEU . . . -128.1 151.12 18.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.738 HG21 ' NH2' ' A' ' 38' ' ' ARG . 27.7 m -125.95 122.85 37.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' THR . 2.2 ttt-85 -35.92 -34.29 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.58 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -152.37 116.29 4.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.555 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -24.68 94.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.1 p -125.69 40.2 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.694 ' HB3' HG22 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -143.56 144.4 31.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.525 ' H ' ' NE2' ' A' ' 54' ' ' GLN . 0.6 OUTLIER -63.02 -10.22 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CE1' ' HD3' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -143.67 92.95 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.61 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.694 HG22 ' HB3' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -129.85 6.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' HD13 ' A' ' 56' ' ' ILE . 50.7 mt-30 -75.15 154.67 37.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -145.62 171.74 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 1.7 tp60 -164.66 138.39 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.735 HD12 ' H ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -101.56 160.83 14.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.36 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.431 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.4 t -146.93 50.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -38.72 124.9 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.56 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -114.5 -1.95 13.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.79 178.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.437 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -81.28 150.57 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 100' ' ' LEU . . . 57.99 21.43 45.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.868 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.2 pm0 -175.2 121.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.586 HG12 ' CB ' ' A' ' 62' ' ' ALA . 19.8 m -139.9 165.51 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.851 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 16.0 m-85 -103.09 176.28 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.518 ' CG1' ' O ' ' A' ' 69' ' ' TYR . 10.4 mt -157.88 127.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -136.63 125.15 23.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.536 ' CB ' HG21 ' A' ' 39' ' ' ILE . 47.8 t -80.12 72.35 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 73' ' ' THR . 12.9 t -37.37 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 72' ' ' SER . 0.9 OUTLIER 173.05 -51.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 76' ' ' GLY . 70.5 p -97.83 -110.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.424 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -172.2 58.16 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.99 154.55 24.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 0.739 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 5.2 m-85 -113.5 134.72 54.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.515 ' HB2' HG22 ' A' ' 70' ' ' ILE . 7.2 tp -46.89 146.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.526 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -165.5 176.15 8.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.926 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.26 113.75 8.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -72.0 178.57 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.1 m -61.1 -13.71 19.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.75 12.87 11.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.468 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 46.57 27.16 2.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -107.55 110.15 21.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.747 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.926 HD12 ' HG3' ' A' ' 81' ' ' MET . 3.0 mp -39.72 136.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.469 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.0 p90 -163.19 146.93 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -79.81 142.01 24.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.34 122.6 22.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -0.08 19.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.098 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.405 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 9.2 p -115.06 94.84 40.08 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.478 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.0 105.43 2.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.768 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.581 ' O ' HD23 ' A' ' 98' ' ' LEU . 1.1 m-80 -161.11 -153.68 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.98 67.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.479 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 20.8 tt0 -175.08 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.526 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.7 t -65.17 -26.53 68.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 108.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.868 HD12 ' HB2' ' A' ' 67' ' ' GLU . 1.9 mm? -51.71 163.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.424 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -144.35 104.82 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.642 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -53.21 96.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.568 ' HB2' HG22 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -89.48 163.05 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.516 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER 179.68 93.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.578 HD21 ' N ' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -31.04 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 102' ' ' ARG . 4.0 tm-20 -63.52 -58.2 7.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -101.34 -113.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.599 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 28.5 t30 -142.1 43.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 26.2 m-70 -175.0 -69.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.615 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 8.1 m-85 -47.2 176.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.627 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 16.3 m120 -143.73 61.25 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.486 ' CG2' HG13 ' A' ' 144' ' ' ILE . 40.7 p -48.91 129.5 17.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.627 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 2.8 m-85 -112.13 179.41 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.931 HD11 ' CZ ' ' A' ' 122' ' ' PHE . 11.1 mt -154.82 136.21 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.639 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 9.0 t -44.14 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.521 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -68.8 -9.15 49.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HG3' ' CB ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -83.83 -13.71 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.639 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -174.55 62.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.642 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -72.74 -4.57 32.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.85 -10.46 20.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.517 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.1 OUTLIER -115.39 5.35 14.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.447 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.3 OUTLIER 55.97 39.1 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.6 m0 -71.04 92.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 107.988 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.931 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 12.6 m-85 -75.52 178.09 6.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.632 HG23 HD21 ' A' ' 87' ' ' LEU . 14.1 p -118.89 95.7 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -145.54 174.4 25.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.813 HD22 ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -135.29 118.05 16.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 128' ' ' ASN . 2.9 tttt -33.65 128.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.09 58.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.0 OUTLIER -149.14 -44.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 138.78 66.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.84 128.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 109.989 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.06 -177.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 108.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.94 173.75 6.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' GLY . 2.6 ttt180 -109.92 152.25 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.59 -58.18 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.499 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.98 51.9 2.91 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.46 38.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -127.05 63.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.406 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.514 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -132.74 131.12 40.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.601 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.687 ' CB ' HD11 ' A' ' 144' ' ' ILE . 9.0 p90 -57.22 -174.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 154.63 -25.9 0.66 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.526 ' HB2' ' C10' ' A' ' 178' ' ' NTS . 1.6 mp0 -126.48 -81.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.467 ' CA ' ' HG ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 172.43 40.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.586 ' HB2' ' C4 ' ' A' ' 178' ' ' NTS . . . -96.04 5.41 51.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.687 HD11 ' CB ' ' A' ' 139' ' ' TYR . 2.2 pt -116.72 -24.25 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.682 ' N ' HD23 ' A' ' 145' ' ' LEU . 1.7 mt -49.81 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.671 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 1.4 m-85 -91.94 119.53 31.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.51 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -106.7 108.83 62.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.7 24.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.585 1.834 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.504 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.4 pp -134.11 62.92 59.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.809 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 167.2 27.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.91 HG23 ' HB2' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -169.74 41.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.4 t -61.5 83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 151' ' ' VAL . 33.8 t -128.03 58.41 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.586 ' C4 ' ' HB2' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.02 94.02 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -103.22 145.61 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -139.04 107.04 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -88.09 129.35 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 58.3 t80 -121.59 130.28 53.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -75.93 135.81 40.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.293 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -37.21 -87.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.451 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -85.13 -53.94 4.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -35.35 -39.62 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 69.61 4.72 47.37 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 48' ' ' THR . 71.0 m80 -74.73 152.24 39.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.567 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 15.2 m-85 -119.04 105.21 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.668 ' HB3' HD11 ' A' ' 58' ' ' LEU . 5.9 mt -41.95 145.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -139.56 -176.68 4.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.699 HD13 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -165.95 139.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.73 HD23 HG22 ' A' ' 44' ' ' THR . 0.5 OUTLIER -108.47 141.38 23.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.478 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.02 5.19 4.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.08 -48.57 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.96 44.8 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.153 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.73 HG22 HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -144.71 168.52 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.434 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.561 HG11 HD11 ' A' ' 79' ' ' LEU . 1.4 t -146.91 164.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.456 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -176.58 -162.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.63 131.34 6.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.445 ' N ' ' HD2' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -91.06 145.01 25.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.12 -19.0 24.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.6 m-20 -150.82 91.85 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.601 ' CD ' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -30.88 94.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.0 t 178.66 66.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -133.51 -176.16 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.563 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -40.24 -49.09 2.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.563 ' N ' HE21 ' A' ' 54' ' ' GLN . 5.4 m-70 -177.15 101.08 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.647 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -102.58 4.14 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.446 ' N ' HD13 ' A' ' 56' ' ' ILE . 3.9 mp0 -52.8 163.25 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 37' ' ' LEU . 21.5 mt -157.15 175.7 13.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -171.53 120.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.516 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -87.13 162.72 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' ALA . 24.9 t -147.62 57.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -38.56 125.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.537 ' CG ' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -119.79 2.31 11.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER 162.86 125.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -41.77 140.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.568 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 77.38 5.9 86.03 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.68 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.3 tt0 -169.46 105.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.829 ' O ' HD23 ' A' ' 98' ' ' LEU . 29.9 m -121.82 171.17 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 4.9 m-85 -114.68 169.01 9.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.756 HD12 ' HD2' ' A' ' 99' ' ' PHE . 94.8 mt -146.24 126.18 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -132.8 101.09 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.56 ' CB ' HG21 ' A' ' 39' ' ' ILE . 15.0 t -56.35 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 73' ' ' THR . 4.5 t -58.01 107.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 23.9 tp10 168.67 -41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.478 HG21 ' HB3' ' A' ' 41' ' ' PRO . 1.8 t -149.47 47.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.13 75.48 0.07 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.5 OUTLIER -134.51 134.31 41.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.281 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 34.1 m-85 -109.74 118.43 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.728 ' HG ' HD23 ' A' ' 87' ' ' LEU . 7.8 tp -68.09 127.82 34.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.667 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -150.08 -176.87 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.576 ' SD ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -137.66 119.53 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.603 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 69.2 m-20 -77.26 174.9 10.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -63.57 -12.34 32.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.75 -3.27 46.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 70.21 5.97 55.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -102.25 111.37 23.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.728 HD23 ' HG ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -39.67 138.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.603 ' CE2' ' OD1' ' A' ' 82' ' ' ASP . 1.5 p90 -152.12 176.6 11.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.595 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -92.38 149.06 19.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.92 112.16 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -5.77 29.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -115.32 98.83 51.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.02 102.9 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.1 m-80 -161.91 -148.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -67.67 63.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 21.9 tt0 -170.6 -44.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.667 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 4.2 t -78.73 -35.46 44.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -48.56 173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.756 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -153.71 104.72 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -51.14 97.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 7.6 tt0 -88.75 143.94 26.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -165.01 86.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.8 OUTLIER -28.35 97.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.0 tm-20 -58.23 -51.27 70.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.483 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.3 tt0 -101.18 -104.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.593 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 1.3 t-20 -149.99 34.51 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 18.4 m170 -168.58 -63.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.582 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 13.1 m-85 -60.06 160.27 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.614 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 14.1 m-20 -128.16 84.17 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.485 ' CG2' HG13 ' A' ' 144' ' ' ILE . 76.2 p -70.29 104.38 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 10.0 m-85 -84.98 178.41 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.454 HG21 ' HB1' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -152.7 148.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.534 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 46.2 t -56.91 86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' ILE . 1.3 tmtm? -52.03 -24.26 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.63 ' CE ' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.18 -38.8 92.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.63 ' CD2' ' CE ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -152.92 65.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.572 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.454 ' HB1' HG21 ' A' ' 112' ' ' ILE . . . -73.85 -3.99 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -60.21 -14.6 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 1.4 tttt -112.67 4.8 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.37 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER 61.4 20.73 11.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 35.7 m0 -54.32 92.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 108.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.653 ' CE1' HD12 ' A' ' 144' ' ' ILE . 9.1 m-85 -71.95 -172.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.707 HG23 HD11 ' A' ' 87' ' ' LEU . 7.6 p -119.59 25.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.545 ' HA3' HG22 ' A' ' 144' ' ' ILE . . . -65.17 -158.53 0.38 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.831 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -170.27 108.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.563 ' O ' ' N ' ' A' ' 128' ' ' ASN . 32.7 tttt -28.78 128.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.5 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.61 60.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 126' ' ' LYS . 19.7 m120 -147.84 -43.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 133.94 70.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 170.25 142.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.777 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.96 169.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.635 ' CB ' HG23 ' A' ' 137' ' ' THR . 5.1 mttt -103.72 153.94 20.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -88.57 145.91 25.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.616 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.11 -62.3 0.73 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.0 Cg_endo -75.01 52.29 3.02 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.24 39.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.635 HG23 ' CB ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -126.82 51.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.493 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 0.7 OUTLIER -120.54 135.42 55.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.56 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.72 ' HB2' HD11 ' A' ' 144' ' ' ILE . 9.3 p90 -58.03 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.513 ' N ' ' CD2' ' A' ' 139' ' ' TYR . . . 144.66 -14.79 2.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.529 ' HB3' ' C4 ' ' A' ' 178' ' ' NTS . 1.8 mp0 -134.46 -89.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.421 ' CA ' ' HG ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 177.74 39.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.619 ' HB2' ' C4 ' ' A' ' 178' ' ' NTS . . . -97.62 7.32 46.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.72 HD11 ' HB2' ' A' ' 139' ' ' TYR . 3.3 pt -118.43 -23.42 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.757 HD23 ' N ' ' A' ' 145' ' ' LEU . 0.2 OUTLIER -59.36 93.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.586 ' HB3' HD21 ' A' ' 28' ' ' LEU . 4.0 m-85 -89.81 125.46 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.45 HD22 ' HD2' ' A' ' 148' ' ' PRO . 0.7 OUTLIER -105.6 104.48 48.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.45 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -74.99 121.35 6.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.615 HD11 HD21 ' A' ' 27' ' ' LEU . 1.2 pp -133.89 67.07 73.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 18.2 Cg_endo -75.0 178.63 7.01 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 150' ' ' PRO . 5.1 m -151.54 49.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 24.5 t -78.01 82.57 4.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 33.3 t -107.75 77.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.619 ' C4 ' ' HB2' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.49 ' O ' ' CG2' ' A' ' 151' ' ' VAL . 18.6 Cg_endo -74.93 -66.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HG3' ' CA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -96.64 148.64 22.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -150.0 102.26 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.942 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -55.12 170.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.779 ' H ' HD23 ' A' ' 28' ' ' LEU . 4.2 t80 -172.8 148.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.628 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 14.4 m -72.82 160.25 32.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.596 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 34.3 p -71.58 -95.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.7 ' O ' ' N ' ' A' ' 34' ' ' GLY . 14.4 t30 -49.33 90.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 18.68 45.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.7 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -77.3 -153.25 5.57 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 1.2 m80 -99.03 178.21 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 0.804 . . . . 0.0 109.632 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.65 ' CD2' ' HB2' ' A' ' 29' ' ' TYR . 38.9 m-85 -119.14 99.12 6.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.824 ' HG ' HD11 ' A' ' 125' ' ' LEU . 4.5 mt -34.29 142.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.514 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 2.7 ptp180 -141.99 148.06 37.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -126.46 115.81 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.638 HD12 HG22 ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.26 141.87 35.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.02 9.19 2.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -93.41 -27.94 16.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.84 14.99 5.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 40' ' ' LEU . 1.1 m -120.44 133.01 55.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -111.27 166.43 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.588 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 175.8 -172.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.732 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -133.6 140.76 12.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.511 HG21 ' NH2' ' A' ' 38' ' ' ARG . 3.5 m -115.4 126.5 54.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -38.81 -39.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.565 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 54.2 m-20 -143.51 120.0 11.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.599 ' HD3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -35.23 119.71 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 179.49 70.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.514 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 8.1 t0 -144.93 -176.17 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.634 ' NE2' ' H ' ' A' ' 55' ' ' HIS . 2.6 pm0 -56.86 -37.49 71.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.634 ' H ' ' NE2' ' A' ' 54' ' ' GLN . 2.6 m-70 -179.5 109.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -105.55 17.69 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -46.42 146.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -151.82 166.78 30.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -179.77 143.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.544 HD13 ' OH ' ' A' ' 111' ' ' TYR . 1.2 mt -100.93 161.59 13.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.8 t -146.1 53.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.043 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -39.98 125.99 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.681 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -118.32 -0.25 11.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.97 129.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.409 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -40.68 138.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.59 -7.31 58.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.703 ' HG2' HD13 ' A' ' 98' ' ' LEU . 3.1 tt0 -153.05 104.24 2.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.823 ' O ' HD23 ' A' ' 98' ' ' LEU . 35.2 m -125.94 162.9 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.477 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 12.2 m-85 -111.32 167.3 10.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.903 HD12 ' CD2' ' A' ' 99' ' ' PHE . 89.4 mt -144.41 128.93 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.3 OUTLIER -135.33 134.3 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.551 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 31.3 t -87.63 71.49 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 73' ' ' THR . 14.8 t -40.57 95.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' SER . 26.8 tp10 176.77 -48.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' GLY . 7.4 t -142.33 45.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.372 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.97 52.67 1.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.31 115.55 29.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 60.7 m-85 -95.96 146.96 24.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 79' ' ' LEU . 5.4 tp -89.31 144.86 25.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.722 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -167.2 173.85 8.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.977 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.08 117.45 10.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.594 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 37.1 m-20 -76.59 171.69 14.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 m -57.04 -16.52 7.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.6 8.03 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.484 ' O ' ' HE3' ' A' ' 81' ' ' MET . . . 53.35 19.19 8.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -98.18 104.11 16.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.977 HD12 ' HG3' ' A' ' 81' ' ' MET . 5.0 mp -38.57 134.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.594 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.4 p90 -162.62 165.07 26.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -119.41 164.46 13.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.64 155.32 29.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.746 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.16 3.43 17.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.238 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.8 p -116.11 90.21 27.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.456 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.0 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.456 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 2.1 m-80 -146.58 -172.27 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -37.98 -31.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.251 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 94' ' ' ASN . 25.1 tt0 -68.93 -61.08 1.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.722 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 8.9 t -56.46 -30.8 63.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.823 HD23 ' O ' ' A' ' 68' ' ' VAL . 1.4 mt -56.84 172.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.903 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -151.36 113.32 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.597 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -54.86 100.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' CD ' HG11 ' A' ' 68' ' ' VAL . 4.0 tt0 -62.5 166.46 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 104' ' ' GLU . 3.8 mtm180 179.49 91.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.5 OUTLIER -60.48 83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.617 ' HG3' HD21 ' A' ' 145' ' ' LEU . 0.6 OUTLIER -39.72 -47.65 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.509 ' HG2' ' CE1' ' A' ' 107' ' ' HIS . 0.8 OUTLIER -130.31 -100.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.588 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 3.0 t-20 -143.3 38.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.588 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -175.45 -65.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.631 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 31' ' ' SER . 6.2 m-85 -59.39 116.75 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.649 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 1.1 m120 -97.1 77.59 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.887 ' CG2' HD23 ' A' ' 145' ' ' LEU . 82.2 p -67.15 96.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.45 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 22.0 m-85 -79.13 -178.5 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.963 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.661 HD11 ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -160.95 132.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.614 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 6.1 t -37.45 105.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.597 ' HG2' HD12 ' A' ' 100' ' ' LEU . 3.0 tmtm? -70.7 -24.14 62.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.512 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -72.43 -8.75 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.614 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.85 67.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.496 ' CB ' HG23 ' A' ' 112' ' ' ILE . . . -77.82 -16.78 58.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.37 -15.95 12.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.2 OUTLIER -100.7 -3.01 31.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.2 OUTLIER 63.35 33.49 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.584 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 40.2 m0 -71.77 88.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.661 ' CD1' HD11 ' A' ' 112' ' ' ILE . 23.9 m-85 -69.51 -178.98 1.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 123' ' ' VAL . 7.4 p -116.99 13.84 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.419 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -89.56 104.43 3.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.824 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.79 116.99 4.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 0.791 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.97 125.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.456 ' HD3' ' C ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.3 59.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -134.58 -46.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.585 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.71 58.21 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 131' ' ' CYS . 2.1 m 169.15 125.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' SER . 6.7 t -43.31 163.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.279 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.474 ' HE2' ' CD ' ' A' ' 126' ' ' LYS . 8.5 mptt -134.22 141.93 47.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -65.48 161.71 19.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -37.53 -59.12 1.32 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.22 3.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.422 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -172.96 32.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 2.5 p -144.46 102.32 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.392 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.552 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -149.85 174.75 12.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.514 ' CD2' ' O61' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -53.08 -167.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.541 ' O ' ' C4 ' ' A' ' 178' ' ' NTS . . . 74.63 -11.98 6.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.437 ' H ' ' C ' ' A' ' 139' ' ' TYR . 16.0 mp0 -119.89 125.11 47.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.612 ' HG2' ' C4 ' ' A' ' 178' ' ' NTS . 2.5 mmtt -70.6 1.68 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 125' ' ' LEU . . . -63.54 -34.86 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.558 HG22 ' HB3' ' A' ' 122' ' ' PHE . 4.3 pt -69.52 -33.26 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.887 HD23 ' CG2' ' A' ' 110' ' ' THR . 12.1 mt -68.77 114.68 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.942 ' HB3' HD21 ' A' ' 28' ' ' LEU . 5.4 m-85 -119.6 126.87 52.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 149' ' ' LEU . 0.5 OUTLIER -115.87 98.83 51.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.81 22.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -126.48 82.15 66.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.893 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.6 Cg_endo -74.93 172.9 15.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.893 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -173.11 35.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.0 t -39.13 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.5 t -173.63 68.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.046 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.612 ' C4 ' ' HG2' ' A' ' 142' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 9.4 mttt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.03 142.1 27.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HZ1' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -149.95 139.17 21.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.801 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.15 104.61 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.652 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -75.5 177.5 6.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.853 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 11.4 t80 -171.46 157.25 4.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.577 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 92.0 m -79.95 126.93 31.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.616 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 9.2 t -29.74 -96.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.654 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.7 t-20 -52.16 -175.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.79 52.01 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -83.36 -139.58 3.75 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.616 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 2.2 m80 -120.82 179.64 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.577 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.853 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 12.3 m-85 -122.7 104.16 9.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.975 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -38.46 147.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.693 ' HD3' HD21 ' A' ' 40' ' ' LEU . 5.5 ptp180 -144.68 129.97 18.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.721 HD12 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -106.82 110.84 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.693 HD21 ' HD3' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -86.95 142.34 34.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.95 7.58 2.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.46 -30.57 15.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.01 23.75 4.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.559 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.8 137.65 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.376 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.721 HG13 HD12 ' A' ' 39' ' ' ILE . 2.1 t -113.15 167.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 171.48 -171.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -138.6 138.83 9.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.446 ' C ' ' HB3' ' A' ' 35' ' ' HIS . 6.5 m -111.0 124.83 52.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.493 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -36.33 -54.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -133.55 106.75 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.646 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -24.02 131.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 p 179.76 48.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.927 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.559 ' HB3' HG23 ' A' ' 56' ' ' ILE . 5.1 t0 -121.57 -172.96 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 55' ' ' HIS . 3.0 pm0 -77.22 -30.34 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.435 ' N ' ' CD ' ' A' ' 54' ' ' GLN . 9.9 m-70 -169.4 103.54 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.608 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.815 ' C ' HD12 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -115.41 1.27 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.9 mt-30 -50.56 154.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.5 mp -144.86 179.95 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.8 OUTLIER -168.32 142.86 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.528 HD23 HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -109.83 160.42 16.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.9 t -142.74 52.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.635 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -40.23 127.89 2.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.634 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -119.44 -0.88 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 159.72 127.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' SER . 4.3 m -38.75 144.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 74.29 6.24 74.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.862 ' OE2' HD13 ' A' ' 98' ' ' LEU . 3.3 tt0 -169.61 106.07 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.878 ' O ' HD23 ' A' ' 98' ' ' LEU . 19.5 m -128.22 166.74 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.58 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 10.3 m-85 -112.64 167.49 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.528 HG12 HD23 ' A' ' 60' ' ' LEU . 63.1 mt -146.91 130.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -143.06 93.33 2.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 t -60.42 82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -49.01 106.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.419 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 172.09 -33.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 t -152.56 37.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 37.67 61.24 1.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.13 124.89 45.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 31.8 m-85 -100.11 121.99 42.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.574 HD22 HD11 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -62.24 135.07 57.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -153.34 179.2 8.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.439 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -146.35 113.23 6.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 85' ' ' GLY . 69.3 m-20 -71.78 175.63 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.463 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 20.7 m -54.3 -19.91 6.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.2 13.5 15.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.478 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 46.3 24.19 1.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -93.22 106.65 18.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LEU . 9.1 mp -39.03 118.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' A' ' 80' ' ' ALA . 3.8 p90 -140.95 166.62 24.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.3 155.13 16.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.73 143.56 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.21 5.3 17.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -116.23 92.0 34.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.45 ' HA ' ' CB ' ' A' ' 97' ' ' CYS . 18.3 Cg_endo -74.98 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' GLU . 3.0 m-80 -141.71 -174.12 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -38.06 -30.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' ASN . 28.8 tt0 -70.91 -54.18 12.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 6.0 t -56.75 -45.76 81.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 68' ' ' VAL . 1.6 mt -46.16 170.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.526 ' CE1' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.64 100.95 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.998 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -43.15 96.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' GLY . 6.5 tm-20 -110.83 149.03 31.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.84 HH21 HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -140.85 -91.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.62 124.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.972 ' OE1' HD21 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -102.91 -47.27 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.417 ' O ' HD22 ' A' ' 103' ' ' LEU . 1.7 tt0 -130.43 -139.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 3.0 t-20 -121.28 50.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.5 m170 179.65 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.972 ' CD2' HD23 ' A' ' 145' ' ' LEU . 5.3 m-85 -76.85 158.67 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.662 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 12.4 m120 -134.02 58.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.494 ' CG2' ' HG ' ' A' ' 145' ' ' LEU . 29.4 p -37.6 150.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.347 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.662 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -134.25 177.03 8.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.178 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.84 HD12 HH21 ' A' ' 102' ' ' ARG . 0.4 OUTLIER -156.95 125.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.641 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 23.0 t -36.0 107.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.711 ' HG2' HD12 ' A' ' 100' ' ' LEU . 4.1 tmtm? -68.36 -25.33 65.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.507 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -68.55 -8.99 46.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.641 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -178.8 68.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.602 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -83.92 6.35 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.66 -16.65 61.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.603 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -105.22 -2.97 23.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.475 ' HA ' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER 68.53 20.16 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.607 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 44.7 m0 -54.08 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.77 ' CE2' HD11 ' A' ' 112' ' ' ILE . 9.8 m-85 -79.06 175.48 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.554 ' O ' HG22 ' A' ' 123' ' ' VAL . 9.9 p -106.48 26.04 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.493 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -100.54 103.32 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.975 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -59.72 113.79 2.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 128' ' ' ASN . 17.0 tttt -24.6 116.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 63.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.638 ' N ' ' O ' ' A' ' 126' ' ' LYS . 8.7 t-20 -134.5 -44.68 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.616 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 122.47 64.92 0.22 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.14 124.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.761 . . . . 0.0 110.063 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.446 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 5.7 t -49.94 145.62 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.486 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -122.59 169.49 10.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.95 -178.65 3.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -45.08 -63.15 2.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 54.26 3.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.486 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.2 OUTLIER 179.21 36.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 134' ' ' GLY . 1.7 t -158.83 100.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 139' ' ' TYR . 6.3 m80 -146.72 -171.66 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.611 ' CD1' ' CD1' ' A' ' 144' ' ' ILE . 0.0 OUTLIER -57.55 -155.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.452 ' N ' ' O61' ' A' ' 178' ' ' NTS . . . 54.88 11.8 3.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.451 ' C ' ' N ' ' A' ' 143' ' ' ALA . 4.1 mt-30 -140.51 107.67 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.554 ' HG2' ' C10' ' A' ' 178' ' ' NTS . 9.6 mmtt -50.76 -15.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -48.98 -37.38 20.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.716 ' CG1' HD12 ' A' ' 145' ' ' LEU . 13.0 pt -65.73 -36.83 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.972 HD21 ' OE1' ' A' ' 104' ' ' GLU . 6.2 mp -74.94 112.19 10.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.827 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 4.7 m-85 -111.18 123.99 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.714 ' O ' HD23 ' A' ' 149' ' ' LEU . 1.0 OUTLIER -109.84 100.92 45.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.446 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.02 136.85 20.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -130.47 68.89 81.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.67 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.04 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' ' 150' ' ' PRO . 12.0 m -159.26 27.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 12.4 t -46.98 110.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 58.4 m -153.53 66.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.582 ' O63' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 83.12 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.597 ' HZ1' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER 172.02 126.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.457 ' HG ' HD11 ' A' ' 149' ' ' LEU . 2.3 pp -163.66 152.29 13.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.59 146.63 26.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 30.1 t80 -135.5 147.3 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.543 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -90.06 151.4 21.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.518 ' OG ' ' CG ' ' A' ' 142' ' ' LYS . 77.3 p -65.12 -97.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.485 ' HB2' ' CG ' ' A' ' 142' ' ' LYS . 1.8 t30 -65.13 -52.84 52.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' ND1' ' A' ' 35' ' ' HIS . . . -35.85 -39.28 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 67.11 7.7 45.69 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 3.8 m80 -89.09 164.12 15.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 109.594 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 77.1 m-85 -125.9 101.53 6.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.025 HD23 HD21 ' A' ' 125' ' ' LEU . 4.8 mt -37.01 154.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.498 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 7.4 ptp180 -153.19 146.61 24.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.818 HD12 HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -123.05 119.3 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.69 HD12 HG22 ' A' ' 44' ' ' THR . 0.9 OUTLIER -87.05 141.72 33.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.02 7.79 2.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -90.48 -30.15 17.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.22 13.95 5.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.69 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -114.31 163.37 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.428 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.818 HG13 HD12 ' A' ' 39' ' ' ILE . 1.7 t -130.49 165.42 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.616 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 176.37 178.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.886 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -126.1 156.59 19.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 21.7 m -131.83 123.96 28.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -46.32 -24.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 48' ' ' THR . 1.6 m-20 -152.8 126.77 9.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.577 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -47.54 122.26 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.414 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.3 t 179.77 70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.3 t0 -150.49 168.7 23.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.26 -52.94 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.518 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 15.1 m-70 -159.31 99.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.5 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -103.69 26.91 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.569 ' C ' HD12 ' A' ' 58' ' ' LEU . 1.3 mp0 -85.41 132.17 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.597 ' N ' ' HZ1' ' A' ' 26' ' ' LYS . 5.1 mp -137.04 116.44 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.592 ' O ' HG23 ' A' ' 70' ' ' ILE . 8.8 tp-100 -104.65 160.87 14.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.571 HD22 ' OH ' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -111.08 158.44 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 11.7 t -143.03 51.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.559 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -39.82 123.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.724 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -114.3 -0.53 13.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 170.82 178.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.975 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -82.26 150.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.591 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 58.72 20.88 49.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.945 ' HB2' HD22 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -176.58 122.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.307 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 62' ' ' ALA . 16.7 m -139.76 173.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.578 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 19.5 m-85 -118.3 165.74 13.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 59' ' ' GLN . 95.5 mt -143.77 129.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HG2' ' CG ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -137.77 114.16 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 74' ' ' GLU . 11.1 t -65.96 88.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 73' ' ' THR . 15.0 t -50.83 90.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.518 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 171.01 -60.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.4 p -79.88 -117.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.67 57.79 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.461 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -159.93 171.98 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 0.805 . . . . 0.0 110.24 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 71' ' ' LYS . 6.0 m-85 -127.93 144.88 51.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.569 HD23 HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -54.13 146.74 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.518 ' H ' HD13 ' A' ' 79' ' ' LEU . . . -163.15 166.05 23.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.563 ' CE ' HG21 ' A' ' 137' ' ' THR . 0.0 OUTLIER -140.49 95.48 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.466 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 62.5 m-20 -49.86 174.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.554 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 24.1 m -63.82 -11.48 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.1 -6.26 59.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.57 ' HA3' ' CE3' ' A' ' 121' ' ' TRP . . . 68.51 22.15 74.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.41 HD12 HH11 ' A' ' 133' ' ' ARG . 5.2 tt -101.29 105.92 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.853 HD21 HG23 ' A' ' 123' ' ' VAL . 10.8 mp -41.61 123.96 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.466 ' CZ ' ' OD1' ' A' ' 82' ' ' ASP . 3.1 p90 -150.29 158.28 43.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -90.86 146.37 18.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.19 126.57 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.88 4.24 17.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.461 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 10.1 p -114.38 94.41 35.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.453 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -74.95 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.534 1.807 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.461 ' ND2' ' C ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -154.57 -156.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 66.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' ASN . 48.5 tt0 -176.06 -51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 78' ' ' TYR . 4.8 t -67.77 -39.16 84.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 108.262 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.945 HD22 ' HB2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -47.34 172.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.47 118.1 5.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.592 HD13 ' HB1' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -61.5 101.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 1.2 tm-20 -112.73 150.86 30.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.661 HH21 HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -147.41 -90.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.6 120.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.747 ' OE2' HD21 ' A' ' 145' ' ' LEU . 4.0 tm-20 -97.53 -41.46 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.7 tt0 -130.07 -104.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.572 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.1 t-20 -158.94 50.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 14.2 m-70 179.84 -62.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.727 ' CE2' HD23 ' A' ' 145' ' ' LEU . 29.7 m-85 -54.1 -167.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.42 ' ND2' ' OE2' ' A' ' 101' ' ' GLU . 25.6 m120 -158.65 54.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.498 ' CG2' HG13 ' A' ' 144' ' ' ILE . 65.8 p -47.2 100.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.571 ' OH ' HD22 ' A' ' 60' ' ' LEU . 8.9 m-85 -80.81 -173.0 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.929 HD11 ' CZ ' ' A' ' 122' ' ' PHE . 5.0 mt -159.38 114.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 112' ' ' ILE . 2.6 p -34.18 98.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' ILE . 13.7 tttm -56.13 -17.41 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -11.83 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.685 ' ND1' ' CZ3' ' A' ' 121' ' ' TRP . 0.9 OUTLIER -145.11 37.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.592 ' HB1' HD13 ' A' ' 100' ' ' LEU . . . -71.46 -19.53 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.49 -27.54 67.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -103.83 1.02 31.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 59.5 33.88 22.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.685 ' CZ3' ' ND1' ' A' ' 116' ' ' HIS . 28.7 m0 -67.42 73.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 107.965 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.929 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 14.0 m-85 -50.27 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.853 HG23 HD21 ' A' ' 87' ' ' LEU . 11.3 p -126.67 96.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.404 ' C ' ' HB1' ' A' ' 143' ' ' ALA . . . -161.94 126.78 1.62 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 1.025 HD21 HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.12 120.76 21.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.44 123.47 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.1 60.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 126' ' ' LYS . 10.0 m120 -156.61 -43.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.554 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 138.94 70.83 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.38 139.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 51.6 t -86.93 156.23 19.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -109.72 158.01 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.41 HH11 HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -138.37 117.51 12.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.558 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 93.91 -142.43 16.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.455 ' HA ' ' NE1' ' A' ' 121' ' ' TRP . 18.2 Cg_endo -75.0 69.69 5.49 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.474 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 1.2 mpt_? -158.34 25.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.563 HG21 ' CE ' ' A' ' 81' ' ' MET . 2.6 t -141.75 77.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 139' ' ' TYR . 17.6 m80 -125.18 -179.28 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.598 ' CD2' ' O62' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -54.01 -164.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 111.055 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.405 ' C ' ' H5 ' ' A' ' 178' ' ' NTS . . . 61.7 9.68 20.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.493 ' C ' ' N ' ' A' ' 143' ' ' ALA . 38.4 mt-30 -133.95 102.74 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.738 ' HA ' HD13 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -49.71 -14.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.493 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -50.45 -31.23 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.498 HG13 ' CG2' ' A' ' 110' ' ' THR . 4.3 pt -77.52 -29.69 16.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.747 HD21 ' OE2' ' A' ' 104' ' ' GLU . 7.9 mp -67.78 101.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.72 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 8.0 m-85 -111.69 119.59 39.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.527 HD22 ' HD2' ' A' ' 148' ' ' PRO . 0.6 OUTLIER -106.42 102.32 40.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.527 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.2 Cg_endo -75.0 132.25 15.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 149' ' ' LEU . 2.9 pp -125.24 74.07 67.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.896 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.98 169.13 23.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -176.01 41.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 13.6 t -61.3 81.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 151' ' ' VAL . 41.5 t -119.93 69.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.598 ' O62' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -56.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.68 145.97 8.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' A' ' 149' ' ' LEU . 0.9 OUTLIER -148.42 122.14 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 1.1 mt -70.17 154.44 41.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.59 1.181 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.477 ' HB2' ' CD2' ' A' ' 149' ' ' LEU . 20.7 t80 -142.83 124.73 15.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 145' ' ' LEU . 0.1 OUTLIER -70.71 142.75 51.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.334 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 28.2 t -58.27 -93.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.477 ' HB2' ' CD ' ' A' ' 142' ' ' LYS . 2.3 t30 -69.89 -52.38 25.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -35.89 -40.45 0.35 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.93 9.88 54.44 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 5.1 m80 -89.63 162.29 15.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 87.6 m-85 -127.7 105.37 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -41.29 141.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.522 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 2.5 ptp180 -139.96 147.26 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.596 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -132.02 149.76 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -109.32 145.65 32.29 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 2.69 6.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.57 -48.13 7.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.38 46.86 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.535 ' CG2' HD23 ' A' ' 40' ' ' LEU . 1.4 m -142.65 168.64 19.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG13 HG12 ' A' ' 39' ' ' ILE . 1.6 t -146.4 166.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 178.66 -170.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.842 ' HA3' HD22 ' A' ' 125' ' ' LEU . . . -129.89 160.24 22.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.507 HG21 HH21 ' A' ' 38' ' ' ARG . 24.9 m -140.64 122.66 15.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -51.51 -20.72 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -151.43 127.56 10.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 2.3 ptt180 -55.7 111.6 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 t 179.96 69.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.522 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.7 t0 -137.7 -173.14 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.727 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 3.3 mp0 -52.74 -45.16 66.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CE1' ' OE1' ' A' ' 74' ' ' GLU . 1.8 m-70 -175.82 96.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.626 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -99.19 11.18 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -57.35 134.89 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -131.97 175.87 8.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 1.5 tt0 -178.75 131.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.574 HD21 ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -90.94 160.82 15.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ALA . 9.1 t -145.16 55.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.22 125.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.823 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -117.25 -0.77 11.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 160.33 131.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.2 137.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.541 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 80.68 -7.5 58.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.87 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.9 tt0 -150.69 104.33 3.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.903 ' O ' HD23 ' A' ' 98' ' ' LEU . 33.2 m -124.36 165.32 21.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 9.1 m-85 -116.82 167.62 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.791 HD12 ' HD2' ' A' ' 99' ' ' PHE . 98.2 mt -143.91 126.72 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.648 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.7 OUTLIER -130.25 123.49 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.648 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 17.4 t -70.96 64.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 73' ' ' THR . 7.6 t -34.56 101.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.575 ' OE1' ' CE1' ' A' ' 55' ' ' HIS . 6.2 tp10 174.22 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -48.43 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.73 60.08 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -119.19 122.18 41.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 60.8 m-85 -100.09 112.29 24.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.522 HD13 ' H ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -46.82 157.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.685 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -178.44 170.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.492 ' HE2' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -137.76 124.15 20.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -79.19 176.25 9.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.521 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 21.0 m -58.17 -16.13 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.98 11.04 21.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.406 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 50.35 30.15 17.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 tt -104.88 112.05 25.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.492 HD12 ' HE2' ' A' ' 81' ' ' MET . 9.5 mp -42.14 128.52 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.464 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.3 p90 -152.06 149.91 29.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.23 144.38 16.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.81 160.28 41.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.045 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.86 38.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 68.0 p -145.96 92.9 5.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 97' ' ' CYS . 18.2 Cg_endo -75.05 89.07 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -128.16 -175.85 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.19 -34.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' OE2' ' OH ' ' A' ' 88' ' ' TYR . 18.1 tt0 -65.8 -61.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.685 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 18.0 m -49.43 -34.72 17.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.903 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.4 OUTLIER -55.89 171.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.791 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -149.92 101.18 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.774 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -49.59 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.08 145.16 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.422 ' NH2' ' CZ ' ' A' ' 122' ' ' PHE . 71.5 mtm180 -135.73 -100.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.53 122.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.608 ' HG2' HD11 ' A' ' 145' ' ' LEU . 3.7 tp10 -100.54 -46.68 5.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.447 ' CG ' ' HG3' ' A' ' 104' ' ' GLU . 1.9 mt-10 -121.43 -117.04 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.567 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 19.0 t30 -153.43 52.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 15.2 m170 -170.78 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 6.5 m-85 -70.61 -158.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.617 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 10.8 m120 -164.21 57.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 p -39.56 153.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -135.42 179.65 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.715 HD12 ' CE1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -154.91 133.14 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.577 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 6.5 t -40.2 100.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.774 ' HG2' HD12 ' A' ' 100' ' ' LEU . 3.5 tmtm? -64.81 -24.61 67.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.559 ' HE3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -67.64 -26.91 66.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.577 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -160.3 66.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.647 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.98 -1.23 24.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.59 -4.16 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -119.49 2.4 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.573 ' CA ' HD11 ' A' ' 112' ' ' ILE . 0.7 OUTLIER 57.13 37.0 28.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.904 ' HA ' HG23 ' A' ' 137' ' ' THR . 38.5 m0 -69.93 77.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.715 ' CE1' HD12 ' A' ' 112' ' ' ILE . 11.5 m-85 -61.19 179.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' ' 123' ' ' VAL . 8.3 p -120.03 100.17 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 144' ' ' ILE . . . -161.0 138.52 5.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.842 HD22 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -95.56 115.02 26.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 125' ' ' LEU . 6.2 tttt -24.6 125.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -64.76 60.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.7 OUTLIER -155.58 -41.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.27 74.14 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 t 169.5 132.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 110.025 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.24 168.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -112.64 174.86 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.158 . . . . 0.0 109.249 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 134' ' ' GLY . 1.7 mmm180 -118.99 153.88 33.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.811 ' O ' HG22 ' A' ' 137' ' ' THR . . . -35.23 -64.03 0.51 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.98 51.67 2.84 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 168.63 41.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.904 HG23 ' HA ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -136.51 67.04 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.368 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' GLY . 5.8 m80 -125.96 152.51 45.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.626 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.737 ' CD2' ' O ' ' A' ' 139' ' ' TYR . 40.4 p90 -59.84 80.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 138' ' ' HIS . . . -119.46 -34.32 1.02 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.448 ' C ' ' H5 ' ' A' ' 178' ' ' NTS . 2.2 mp0 -121.92 172.97 7.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.601 ' HG3' HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -83.77 46.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.72 ' HB1' ' O ' ' A' ' 125' ' ' LEU . . . -106.79 -16.88 14.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 139' ' ' TYR . 32.0 pt -95.07 -26.99 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.674 HD13 ' O61' ' A' ' 178' ' ' NTS . 1.4 mp -58.53 92.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.483 ' CE2' ' O ' ' A' ' 123' ' ' VAL . 14.1 m-85 -107.42 119.07 38.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.661 HD23 ' N ' ' A' ' 148' ' ' PRO . 4.5 tt -111.35 124.01 33.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.661 ' N ' HD23 ' A' ' 147' ' ' LEU . 18.4 Cg_endo -74.95 131.46 14.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -130.24 64.33 72.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.722 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 165.04 32.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.454 1.766 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 150' ' ' PRO . 6.3 m -160.54 44.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 151' ' ' VAL . 5.4 t -39.47 103.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 48.3 t 179.78 72.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.674 ' O61' HD13 ' A' ' 145' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 1.9 mttt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -74.99 -0.16 9.62 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HE3' ' CA ' ' A' ' 27' ' ' LEU . 1.1 tptt -179.87 140.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.636 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -175.23 139.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.024 HD21 ' HB3' ' A' ' 146' ' ' PHE . 1.8 tt -96.47 160.38 14.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.797 ' H ' HD23 ' A' ' 28' ' ' LEU . 51.2 t80 -153.89 151.94 30.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.463 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 2.9 m -103.77 149.87 24.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 108' ' ' TYR . 1.4 p -64.5 -97.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.534 ' HB2' ' CG ' ' A' ' 142' ' ' LYS . 2.4 t30 -54.89 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.09 -36.4 0.86 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.549 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 62.68 10.25 30.05 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 7.4 m80 -80.89 163.03 23.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.73 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CD1' ' HA ' ' A' ' 50' ' ' ASP . 17.6 m-85 -127.36 91.34 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.789 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -33.52 146.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.615 HH21 HG21 ' A' ' 48' ' ' THR . 10.7 ptp180 -138.76 153.05 48.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.793 HD11 HD13 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -130.34 114.47 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.621 HD12 HG22 ' A' ' 44' ' ' THR . 0.5 OUTLIER -90.72 138.89 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.665 ' CD ' ' CD2' ' A' ' 55' ' ' HIS . 18.4 Cg_endo -74.96 9.35 2.04 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -29.57 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.52 15.59 5.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.621 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -118.38 130.91 56.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.378 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.508 HG11 HD11 ' A' ' 79' ' ' LEU . 1.8 t -112.98 165.77 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 170.08 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.668 ' CA ' HD22 ' A' ' 125' ' ' LEU . . . -125.92 169.24 17.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.615 HG21 HH21 ' A' ' 38' ' ' ARG . 20.9 m -145.58 124.52 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.497 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -39.6 -32.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.597 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 2.4 m-20 -160.11 118.88 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -31.03 93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -122.2 33.67 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.582 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -135.41 174.83 10.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.547 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -91.47 -30.29 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.665 ' CD2' ' CD ' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -118.97 82.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.609 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.582 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -130.39 18.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -79.04 162.98 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -148.14 177.16 9.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.865 ' O ' HG23 ' A' ' 70' ' ' ILE . 7.5 tp-100 -170.5 147.78 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.743 HD23 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -119.56 158.69 25.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.0 t -143.89 53.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.503 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -39.84 126.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.74 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -118.44 0.22 11.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 159.67 126.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.413 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -39.63 142.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.67 4.49 81.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.888 ' OE2' HD13 ' A' ' 98' ' ' LEU . 4.3 tt0 -168.35 106.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.731 ' C ' HD23 ' A' ' 98' ' ' LEU . 29.7 m -126.76 164.17 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.45 ' CB ' ' HB3' ' A' ' 61' ' ' SER . 12.7 m-85 -109.81 168.82 9.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 59' ' ' GLN . 17.8 mt -147.34 126.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -112.18 133.9 54.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.601 ' HB2' HD13 ' A' ' 39' ' ' ILE . 5.9 t -71.96 70.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -45.09 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 73' ' ' THR . 0.7 OUTLIER 159.68 -38.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.477 HG21 ' HB3' ' A' ' 41' ' ' PRO . 25.3 p -119.28 -124.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -145.43 16.17 1.86 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.493 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -101.55 -161.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 49.0 m-85 -151.17 174.56 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.793 HD13 HD11 ' A' ' 39' ' ' ILE . 7.3 tp -92.52 161.78 14.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.484 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . . . -177.21 -175.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' A' ' 122' ' ' PHE . 2.3 ttt -147.94 94.44 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.527 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 40.0 m-20 -52.64 168.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.404 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 2.8 m -58.95 -16.6 18.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -81.08 3.07 24.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.508 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 59.91 16.55 39.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -97.74 109.07 21.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 0.811 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.012 HD21 HG23 ' A' ' 123' ' ' VAL . 4.2 mp -38.85 119.35 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.527 ' CG ' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -144.03 165.24 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.04 156.5 15.9 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.07 156.65 40.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -90.37 29.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.445 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.3 p -134.13 88.67 30.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.427 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -74.98 99.67 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -156.32 -152.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -66.36 69.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 94' ' ' ASN . 27.8 tt0 -177.94 -43.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 5.1 t -76.71 -26.73 55.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.888 HD13 ' OE2' ' A' ' 67' ' ' GLU . 0.5 OUTLIER -59.55 172.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.4 105.07 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.742 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -46.31 98.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 8.6 tt0 -79.42 161.61 26.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.74 78.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' A' ' 106' ' ' ASN . 19.3 tp -31.43 95.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.687 ' CD ' HD21 ' A' ' 145' ' ' LEU . 1.7 tm-20 -51.8 -40.44 60.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.8 tt0 -130.11 -107.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.81 ' HA ' HD21 ' A' ' 103' ' ' LEU . 4.4 t30 -139.98 40.51 1.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.754 ' N ' HD11 ' A' ' 103' ' ' LEU . 5.4 m170 -178.29 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.62 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 15.2 m-85 -54.17 129.24 34.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.623 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 2.5 m120 -105.32 85.02 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.773 ' CG2' HD23 ' A' ' 145' ' ' LEU . 69.5 p -75.18 94.85 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.743 ' OH ' HD23 ' A' ' 60' ' ' LEU . 17.1 m-85 -78.62 -172.84 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -165.7 123.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.488 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 59.5 p -34.57 99.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.742 ' HG2' HD12 ' A' ' 100' ' ' LEU . 4.7 tmtm? -64.37 -22.62 67.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -71.3 -6.72 41.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 113' ' ' SER . 0.2 OUTLIER 179.85 67.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.479 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -85.23 -2.35 57.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -68.18 -17.66 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 6.5 mttt -101.85 -1.77 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.08 20.59 7.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 35.2 m0 -60.21 107.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 112' ' ' ILE . 16.1 m-85 -89.02 -176.27 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 1.012 HG23 HD21 ' A' ' 87' ' ' LEU . 6.3 p -117.83 12.65 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.534 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -82.72 107.23 2.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.789 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -62.12 119.46 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.628 ' O ' ' N ' ' A' ' 128' ' ' ASN . 30.6 tttt -24.47 118.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.26 61.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.628 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -143.1 -45.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 125.76 68.07 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 168.73 128.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 110.041 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.7 t -41.52 158.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 108.33 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.453 ' HE3' ' CD ' ' A' ' 136' ' ' ARG . 32.5 tptt -129.11 160.29 33.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.425 ' NE ' ' HG2' ' A' ' 135' ' ' PRO . 10.2 ptm180 -95.5 156.11 16.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -39.56 -55.59 2.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.425 ' HG2' ' NE ' ' A' ' 133' ' ' ARG . 18.3 Cg_endo -75.04 63.17 6.01 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.453 ' CD ' ' HE3' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 169.65 39.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.448 ' OG1' ' HA ' ' A' ' 121' ' ' TRP . 4.4 p -145.25 92.65 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.6 OUTLIER -139.8 172.25 13.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.618 ' CE2' ' O61' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -52.0 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.493 ' N ' ' O62' ' A' ' 178' ' ' NTS . . . 69.09 0.81 22.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.493 ' C ' ' N ' ' A' ' 143' ' ' ALA . 3.6 mp0 -126.89 105.37 8.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 32' ' ' ASN . 4.2 mttt -51.09 -14.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.578 ' O ' ' CE1' ' A' ' 146' ' ' PHE . . . -48.04 -38.99 18.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.539 HD12 ' CE1' ' A' ' 122' ' ' PHE . 3.9 pt -71.74 -29.9 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.773 HD23 ' CG2' ' A' ' 110' ' ' THR . 68.2 mt -68.8 105.0 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 1.024 ' HB3' HD21 ' A' ' 28' ' ' LEU . 14.0 m-85 -116.17 124.46 50.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.728 ' O ' HD23 ' A' ' 149' ' ' LEU . 1.1 tm? -106.61 102.29 40.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.517 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.4 Cg_endo -75.01 131.36 14.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.2 OUTLIER -129.74 68.9 81.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.844 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 164.99 32.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -170.62 36.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.5 t -39.65 98.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.4 t -172.02 72.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.618 ' O61' ' CE2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' CG ' ' NE2' ' A' ' 57' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.481 ' O ' HG22 ' A' ' 151' ' ' VAL . 18.6 Cg_endo -74.92 -34.36 3.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' CE ' ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -115.89 144.92 43.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -158.55 123.88 4.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.857 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -93.85 163.74 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.81 ' H ' HD23 ' A' ' 28' ' ' LEU . 12.8 t80 -154.91 153.1 30.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.647 ' SG ' HD13 ' A' ' 125' ' ' LEU . 34.2 m -88.46 153.0 21.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.63 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -57.08 -161.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.63 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.8 OUTLIER -36.06 148.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 29.02 54.63 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' HA3' ' CB ' ' A' ' 30' ' ' CYS . . . -121.39 161.02 15.6 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.646 ' CD2' ' N ' ' A' ' 49' ' ' ARG . 2.6 m80 -94.39 -178.69 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.562 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.605 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 35.6 m-85 -115.23 98.06 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.862 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -38.74 152.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.459 ' HD3' ' CA ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -141.06 149.05 41.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.837 HD11 HD13 ' A' ' 79' ' ' LEU . 1.1 tp -123.56 112.88 35.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.863 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -91.03 141.25 26.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.03 7.5 2.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -92.66 -30.53 15.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.2 28.31 2.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.863 ' HB ' HD12 ' A' ' 40' ' ' LEU . 4.4 m -124.55 158.33 33.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 110.427 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 46' ' ' ASP . 2.2 t -129.19 169.65 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 174.02 -170.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.459 ' CA ' ' HD3' ' A' ' 38' ' ' ARG . . . -141.28 155.69 25.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.457 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 6.3 m -135.75 125.45 25.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.646 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -34.64 -46.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' SER . 58.2 m-20 -142.44 122.15 13.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.605 ' CD ' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -33.79 96.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' ASP . 3.8 t -143.25 50.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.976 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.523 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -123.8 -170.97 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.574 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -82.14 -39.27 23.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -155.27 99.38 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.523 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -114.3 20.52 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.2 mp0 -71.39 129.07 37.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -130.54 132.31 45.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.781 ' OE1' HD12 ' A' ' 60' ' ' LEU . 8.4 tp-100 -120.13 154.47 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.817 HD12 ' H ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -118.8 165.31 14.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 6.7 t -145.26 51.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.26 125.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.629 ' HG2' HD21 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -114.0 -3.93 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.07 140.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.52 138.15 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 78.29 1.49 81.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.682 ' HG2' HD22 ' A' ' 98' ' ' LEU . 2.1 tt0 -157.49 104.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.948 ' O ' HD23 ' A' ' 98' ' ' LEU . 7.4 m -126.94 162.51 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.536 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 11.5 m-85 -119.27 163.43 17.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 59' ' ' GLN . 13.1 mt -145.58 124.74 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -129.14 128.94 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.501 ' CB ' HG21 ' A' ' 39' ' ' ILE . 1.9 t -62.05 93.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.543 HG23 ' CB ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -52.8 89.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 73' ' ' THR . 2.1 tp10 160.62 -60.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 74' ' ' GLU . 7.7 p -99.52 -135.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -142.96 61.95 0.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.18 132.03 45.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 93' ' ' PRO . 65.8 m-85 -106.73 112.43 25.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.837 HD13 HD11 ' A' ' 39' ' ' ILE . 4.8 tp -42.36 160.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.639 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -177.89 178.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.453 ' CB ' ' HB3' ' A' ' 113' ' ' SER . 0.0 OUTLIER -140.34 103.78 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.43 ' OD2' ' CG ' ' A' ' 88' ' ' TYR . 36.8 m-20 -61.09 171.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -64.67 -14.53 58.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -5.92 44.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.479 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 73.22 17.48 78.81 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 87' ' ' LEU . 1.9 tt -110.89 127.6 55.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.932 HD21 HG23 ' A' ' 123' ' ' VAL . 7.2 mp -55.41 136.95 49.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -160.16 150.8 18.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -101.74 154.18 18.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.72 153.78 41.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -78.78 2.64 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.0 p -115.72 94.28 40.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.511 ' HB3' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.98 88.48 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' CYS . 2.2 m-80 -127.55 -175.15 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.45 -39.36 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.473 ' CG ' ' HG3' ' A' ' 115' ' ' LYS . 47.3 tt0 -61.69 -50.81 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.639 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 16.8 m -64.9 -24.25 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.948 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.3 mt -67.26 173.06 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.596 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -150.66 124.93 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -66.77 104.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.576 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 0.9 OUTLIER -110.61 146.8 35.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.6 -94.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER 178.38 117.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.755 ' CD ' HD22 ' A' ' 145' ' ' LEU . 3.4 tm-20 -96.71 -35.52 10.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 1.3 mm-40 -130.34 -100.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.609 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 6.2 m120 -170.23 40.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 20.5 m170 -166.48 -61.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.621 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.587 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 11.1 m-85 -65.02 -164.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.629 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 8.8 m120 -158.16 82.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.551 ' CG2' HG13 ' A' ' 144' ' ' ILE . 70.1 p -72.14 99.08 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 6.2 m-85 -81.09 -175.54 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.3 mt -156.27 131.79 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 81' ' ' MET . 1.6 p -49.87 91.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 100' ' ' LEU . 9.8 tttm -50.39 -42.12 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.473 ' HG3' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -45.55 -26.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 81' ' ' MET . 0.2 OUTLIER -166.25 75.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.586 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.428 ' CB ' HG22 ' A' ' 112' ' ' ILE . . . -91.39 -0.08 57.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -64.72 -20.48 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.3 OUTLIER -105.06 3.9 30.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER 64.75 19.03 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.0 m0 -53.97 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.71 ' CE2' HD12 ' A' ' 144' ' ' ILE . 10.6 m-85 -69.63 -170.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.932 HG23 HD21 ' A' ' 87' ' ' LEU . 4.0 p -124.24 44.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.649 ' C ' HD12 ' A' ' 125' ' ' LEU . . . -95.39 -173.2 36.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.835 HD21 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -151.88 121.67 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.3 tttt -36.89 125.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.09 59.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 126' ' ' LYS . 14.2 m120 -144.76 -43.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.558 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 137.82 61.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.0 m -179.46 140.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 110.022 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.488 ' SG ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -58.69 168.58 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.317 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.799 ' HB3' HG23 ' A' ' 137' ' ' THR . 1.5 mttt -102.68 131.35 49.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -79.95 153.92 28.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.619 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -37.02 -62.7 0.82 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.04 53.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.56 40.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -128.76 55.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.412 ' O ' ' O62' ' A' ' 178' ' ' NTS . 1.1 m80 -122.87 141.72 51.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.748 ' HB2' HD11 ' A' ' 144' ' ' ILE . 8.0 p90 -68.99 -166.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.505 ' N ' ' CD2' ' A' ' 139' ' ' TYR . . . 155.53 -46.47 0.52 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.525 ' HB3' ' C4 ' ' A' ' 178' ' ' NTS . 1.9 mp0 -111.86 -74.91 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.509 ' CB ' HD11 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 169.46 58.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.561 ' CB ' ' C5 ' ' A' ' 178' ' ' NTS . . . -114.62 19.22 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 139' ' ' TYR . 1.0 OUTLIER -127.63 -25.17 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.755 HD22 ' CD ' ' A' ' 104' ' ' GLU . 0.2 OUTLIER -57.69 100.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.862 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 4.4 m-85 -89.04 121.23 31.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -102.36 105.52 43.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.01 130.37 13.2 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.494 HD11 HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -134.31 62.98 58.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.666 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.02 164.96 32.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.797 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 150' ' ' PRO . 14.4 m -159.5 58.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 23.0 t -62.11 80.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 151' ' ' VAL . 33.6 t -128.69 58.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.561 ' C5 ' ' CB ' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 54.71 3.71 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 3.0 tptt -148.74 138.64 22.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 149' ' ' LEU . 0.3 OUTLIER -167.68 123.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.5 OUTLIER -76.82 148.43 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.586 ' CZ ' ' O ' ' A' ' 30' ' ' CYS . 6.5 t80 -136.84 141.62 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.586 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 4.2 m -75.83 144.51 41.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.856 ' HB3' HD23 ' A' ' 145' ' ' LEU . 1.9 t -68.9 -73.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.05 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.552 ' HB3' ' HG2' ' A' ' 142' ' ' LYS . 3.2 m-80 -100.75 -18.75 16.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.497 ' N ' ' CB ' ' A' ' 142' ' ' LYS . . . -61.67 -40.21 98.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' ARG . . . 77.52 -6.88 42.99 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 24.2 m80 -83.69 167.62 17.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 83.9 m-85 -134.2 95.99 3.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.939 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -34.24 148.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.519 ' NH2' HG21 ' A' ' 48' ' ' THR . 4.5 ptp180 -146.48 145.27 30.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.596 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.8 OUTLIER -125.86 119.84 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.698 HD12 HG22 ' A' ' 44' ' ' THR . 0.8 OUTLIER -86.61 142.59 34.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HA ' ' NE2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.98 8.47 2.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.85 -27.53 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.87 11.88 6.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.698 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -118.82 132.15 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 110.388 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.5 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.2 164.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.597 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 178.83 -176.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.959 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -120.24 179.96 16.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.519 HG21 ' NH2' ' A' ' 38' ' ' ARG . 57.5 m -156.84 123.76 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 34' ' ' GLY . 56.9 ttt-85 -45.43 -25.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -150.93 127.86 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -55.48 113.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -179.85 68.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.518 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 6.4 t0 -137.3 -172.48 3.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.734 ' H ' ' NE2' ' A' ' 54' ' ' GLN . 3.4 mp0 -54.84 -44.69 74.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.557 ' CG ' ' CD ' ' A' ' 74' ' ' GLU . 1.8 m-70 -173.87 98.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.633 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.443 HD13 ' C ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -101.34 11.33 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.415 ' OE1' ' ND1' ' A' ' 55' ' ' HIS . 3.6 mp0 -55.0 130.55 42.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.56 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.1 mt -127.45 179.23 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.547 ' O ' HG23 ' A' ' 70' ' ' ILE . 3.1 tp-100 -179.59 148.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.463 HD13 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -116.07 158.76 22.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.3 t -142.83 54.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -37.74 131.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -128.39 1.23 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.515 ' O ' ' O ' ' A' ' 67' ' ' GLU . 1.3 m 157.62 120.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -36.16 150.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.483 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 66.87 10.52 55.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.734 ' HG2' HD12 ' A' ' 98' ' ' LEU . 3.9 tt0 -175.35 104.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.288 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.875 ' O ' HD13 ' A' ' 98' ' ' LEU . 35.3 m -127.74 170.81 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.816 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 10.7 m-85 -109.33 171.18 7.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.601 HD12 ' HD2' ' A' ' 99' ' ' PHE . 18.1 mt -154.3 127.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.646 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -129.76 113.91 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.646 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 1.4 t -65.45 81.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -35.18 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.557 ' CD ' ' CG ' ' A' ' 55' ' ' HIS . 2.4 mm-40 175.74 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -113.76 59.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.41 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 34.08 35.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.491 ' OE1' HG23 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -87.37 105.27 17.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.27 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.476 ' O ' ' CA ' ' A' ' 89' ' ' GLY . 59.4 m-85 -84.81 148.54 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.566 ' CD2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -85.22 142.08 29.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -163.29 178.28 8.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.84 ' HG3' HD12 ' A' ' 87' ' ' LEU . 1.5 ttt -145.74 107.93 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.564 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 61.9 m-20 -65.21 173.65 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.405 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 16.3 m -60.08 -16.43 31.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.88 7.03 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.481 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 55.95 17.49 16.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.11 106.39 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.84 HD12 ' HG3' ' A' ' 81' ' ' MET . 2.6 mp -39.01 135.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.564 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -165.83 165.14 18.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.33 160.66 14.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.06 163.59 33.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -88.44 38.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.46 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.4 p -136.75 89.39 17.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.465 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.5 Cg_endo -74.91 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.6 OUTLIER -158.59 -164.05 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.49 -40.4 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.408 ' CD ' ' HH ' ' A' ' 88' ' ' TYR . 10.0 tt0 -59.65 -68.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 6.2 t -54.06 -41.9 68.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 108.267 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.875 HD13 ' O ' ' A' ' 68' ' ' VAL . 2.6 mm? -48.13 166.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.601 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -150.17 99.6 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.679 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -39.86 99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.656 ' HB2' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -95.17 161.77 13.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.785 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -179.53 91.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -20.21 102.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.5 ' OE1' ' CG ' ' A' ' 105' ' ' GLU . 3.0 tm-20 -66.93 -39.77 87.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.5 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 0.6 OUTLIER -130.12 -97.17 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 2.9 t-20 -164.94 49.31 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 7.1 m170 -176.02 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.556 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.72 ' CD2' HD11 ' A' ' 145' ' ' LEU . 3.4 m-85 -68.88 -160.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.535 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 24.5 m120 -167.29 40.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 144' ' ' ILE . 31.8 p -42.78 153.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.663 ' CD1' ' N ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -135.18 -178.57 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.161 HD11 ' CE1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -150.97 125.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.561 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 8.1 t -30.97 101.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.679 ' HG2' HD12 ' A' ' 100' ' ' LEU . 2.0 tmtm? -68.52 -28.98 67.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.93 -11.38 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.561 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -177.05 63.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 112' ' ' ILE . . . -78.14 -7.31 56.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.68 -14.66 14.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.3 OUTLIER -111.1 5.53 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 122' ' ' PHE . 29.3 m120 55.95 34.96 24.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.61 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.1 m0 -66.22 77.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 1.161 ' CE1' HD11 ' A' ' 112' ' ' ILE . 2.3 m-85 -56.31 165.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.583 ' HB ' ' CE1' ' A' ' 99' ' ' PHE . 4.2 p -107.9 82.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -153.38 127.39 2.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.959 HD22 ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.3 125.67 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 0.726 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.613 ' C ' ' O ' ' A' ' 125' ' ' LEU . 27.9 tttt -22.13 124.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.525 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.12 59.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 126' ' ' LYS . 3.1 t-20 -151.37 -46.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.481 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 139.83 63.62 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 168.92 128.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.42 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.6 tptt -150.75 148.48 28.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 134' ' ' GLY . 44.2 ttt180 -69.12 158.09 35.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.78 -57.18 1.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -74.99 59.17 5.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 173.12 39.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.579 HG21 ' HE1' ' A' ' 81' ' ' MET . 8.0 t -154.78 98.93 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -140.24 -147.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.509 ' O ' ' N ' ' A' ' 141' ' ' GLN . 0.1 OUTLIER -67.71 -160.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.687 ' CA ' ' H5 ' ' A' ' 178' ' ' NTS . . . 38.0 26.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.656 ' O ' ' N ' ' A' ' 143' ' ' ALA . 0.0 OUTLIER -119.17 80.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 110.28 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.552 ' HG2' ' HB3' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -35.36 -25.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.76 ' HB1' ' N ' ' A' ' 125' ' ' LEU . . . -57.74 -34.68 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 141' ' ' GLN . 19.8 pt -72.97 -32.45 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.856 HD23 ' HB3' ' A' ' 31' ' ' SER . 5.5 tp -68.77 78.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.93 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 9.5 m-85 -94.66 129.45 41.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -120.39 128.74 25.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.561 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.2 Cg_endo -75.0 128.08 11.2 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -130.15 55.07 16.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.81 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 -168.39 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.796 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.81 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -173.7 39.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.6 82.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 151' ' ' VAL . 0.5 OUTLIER -127.22 74.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.687 ' H5 ' ' CA ' ' A' ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' CB ' ' NE2' ' A' ' 57' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.651 ' HB2' HG23 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.93 76.34 3.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.528 1.804 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -167.78 125.42 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -162.11 144.24 11.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.07 152.78 19.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 38.6 t80 -135.0 150.26 50.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 143' ' ' ALA . 0.5 OUTLIER -110.2 145.94 36.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.279 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 t -59.91 -86.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.494 ' CB ' ' HB2' ' A' ' 142' ' ' LYS . 33.0 t30 -73.93 134.56 43.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.66 -25.17 14.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.614 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 59.36 21.39 53.84 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.496 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 80.4 m80 -57.27 154.12 10.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 34' ' ' GLY . 71.4 m-85 -132.34 96.43 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.842 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -37.37 154.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -144.9 162.21 37.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.791 HD11 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -130.85 108.97 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -86.0 141.72 35.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.1 Cg_endo -75.03 9.91 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.571 1.827 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 40' ' ' LEU . 1.4 t70 -95.39 -30.24 14.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.71 19.74 5.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.632 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -121.11 131.76 54.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.539 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.61 166.48 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.658 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 175.06 -170.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.729 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -130.49 153.32 20.14 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -128.82 126.88 40.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.374 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 34' ' ' GLY . 1.9 tmt_? -37.94 -47.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -139.89 112.49 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -31.5 115.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -172.57 64.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.062 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.456 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 3.7 t0 -134.8 -174.88 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.501 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -66.22 -18.56 65.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.581 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 2.5 m-70 174.15 111.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.553 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.875 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.72 14.76 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.442 ' NE2' ' CB ' ' A' ' 24' ' ' LYS . 77.4 mt-30 -60.04 148.56 35.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.3 mp -147.38 175.84 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -173.95 142.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.96 160.26 16.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 6.5 t -143.36 51.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.68 124.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.611 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -115.49 -0.42 13.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 165.6 175.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 65' ' ' VAL . 3.9 m -72.42 152.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 49.66 24.64 5.98 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.896 ' OE2' HD13 ' A' ' 98' ' ' LEU . 4.1 tt0 -169.12 107.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.781 ' O ' HD23 ' A' ' 98' ' ' LEU . 5.2 m -133.34 161.8 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.5 ' CE2' ' SG ' ' A' ' 97' ' ' CYS . 17.2 m-85 -111.81 164.05 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 59' ' ' GLN . 27.3 mt -146.23 131.15 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HZ2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -137.93 104.57 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.519 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 2.3 t -61.94 79.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 73' ' ' THR . 15.0 t -49.76 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.581 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.2 mm-40 164.03 -46.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -105.57 -27.15 11.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.87 35.01 13.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -112.06 119.29 37.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 110.266 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CD1' ' HB3' ' A' ' 93' ' ' PRO . 49.3 m-85 -80.29 103.88 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.791 HD13 HD11 ' A' ' 39' ' ' ILE . 6.5 tp -38.73 145.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.683 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -166.52 -177.46 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.794 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -143.62 92.74 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.506 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 11.5 m-20 -44.14 166.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.706 HG23 ' HE2' ' A' ' 115' ' ' LYS . 1.1 p -61.16 -14.07 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.76 8.85 18.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.553 ' CA ' ' CE3' ' A' ' 121' ' ' TRP . . . 57.72 28.14 59.81 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' LEU . 2.1 tt -109.94 108.62 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.794 HD12 ' HG3' ' A' ' 81' ' ' MET . 5.1 mp -39.75 134.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.542 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -166.92 153.15 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.08 132.6 9.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 1.7 t -122.05 164.04 18.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -79.35 3.23 18.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 p -115.73 88.61 20.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HB3' ' CD1' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.02 104.63 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.447 ' N ' ' SG ' ' A' ' 97' ' ' CYS . 3.3 m-80 -140.91 -174.51 4.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 94' ' ' ASN . 0.8 OUTLIER -35.89 -40.58 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.444 ' HB2' ' CD ' ' A' ' 115' ' ' LYS . 45.1 tt0 -61.5 -54.13 47.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.683 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 3.5 p -58.81 -38.85 79.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 108.318 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.896 HD13 ' OE2' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -50.47 174.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -151.3 120.98 6.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.587 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -61.46 98.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.582 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 6.5 tt0 -104.41 143.51 32.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.812 HH21 HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -144.53 -96.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.255 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 102' ' ' ARG . 1.9 tp 178.9 117.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.49 ' HG3' HD21 ' A' ' 145' ' ' LEU . 3.9 tm-20 -91.6 -43.95 9.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -130.05 -92.25 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.557 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 2.0 t-20 -179.12 58.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.557 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 14.1 m-70 179.97 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.548 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.24 -154.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.457 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 7.6 m120 -168.23 66.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.496 ' CG2' HG13 ' A' ' 144' ' ' ILE . 76.8 p -55.6 99.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 101' ' ' GLU . 5.4 m-85 -81.3 -172.73 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.812 HD12 HH21 ' A' ' 102' ' ' ARG . 0.2 OUTLIER -163.46 119.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 81' ' ' MET . 6.8 t -35.03 101.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.574 ' HA ' HD12 ' A' ' 100' ' ' LEU . 17.3 tttm -57.46 -17.22 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.706 ' HE2' HG23 ' A' ' 83' ' ' THR . 0.0 OUTLIER -92.31 -3.33 55.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.735 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 1.3 m-70 -152.48 39.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.659 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.587 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -77.35 -1.2 28.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.49 -29.22 30.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 1.8 tttt -101.92 -0.04 34.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 65.45 28.61 11.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.735 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 34.3 m0 -64.55 78.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 112' ' ' ILE . 13.6 m-85 -54.21 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.701 HG23 HD21 ' A' ' 87' ' ' LEU . 5.1 p -122.9 17.8 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -88.91 107.58 3.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.842 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -61.31 118.8 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 128' ' ' ASN . 0.7 OUTLIER -22.77 116.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -62.7 61.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.638 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -141.12 -43.81 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.496 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.74 58.48 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.68 114.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.969 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -41.7 156.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.1 mptt -121.21 167.77 12.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 135' ' ' PRO . 21.8 ptt180 -96.0 165.49 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.612 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -35.1 -56.58 0.86 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.487 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.0 55.73 4.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 176.94 37.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.52 92.02 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 139' ' ' TYR . 6.3 m80 -148.82 172.22 15.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.608 ' CE2' ' O62' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -54.8 -164.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.502 ' N ' ' O63' ' A' ' 178' ' ' NTS . . . 65.58 4.77 20.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.492 ' C ' ' N ' ' A' ' 143' ' ' ALA . 4.2 mt-30 -131.17 107.69 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.813 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.625 ' CB ' HD12 ' A' ' 145' ' ' LEU . 7.9 mttt -51.59 -13.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 125' ' ' LEU . . . -48.67 -32.9 9.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.582 HD12 ' CE2' ' A' ' 122' ' ' PHE . 3.5 pt -79.37 -29.02 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.625 HD12 ' CB ' ' A' ' 142' ' ' LYS . 40.5 mt -65.11 90.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 143' ' ' ALA . 13.2 m-85 -105.09 116.96 32.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.587 HD23 ' HD2' ' A' ' 148' ' ' PRO . 0.0 OUTLIER -103.35 109.67 62.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.587 ' HD2' HD23 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.03 129.86 12.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.546 1.814 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.5 pp -133.27 63.74 66.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.854 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 -168.9 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -178.64 41.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.5 t -46.42 108.79 0.15 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 30.6 t -142.95 78.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.608 ' O62' ' CE2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HB2' HG23 ' A' ' 151' ' ' VAL . 18.5 Cg_endo -74.96 100.13 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -176.77 146.71 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.94 ' HG ' HD11 ' A' ' 149' ' ' LEU . 0.2 OUTLIER -155.89 107.61 2.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.007 HD21 ' HB3' ' A' ' 146' ' ' PHE . 2.7 tt -65.85 157.48 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.828 ' H ' HD23 ' A' ' 28' ' ' LEU . 7.3 t80 -157.74 156.17 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.727 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 59.5 m -80.11 166.52 21.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.645 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 3.1 t -71.23 -117.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.728 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -50.22 132.58 24.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.665 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 4.51 61.64 0.0 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.728 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -103.99 -173.3 25.43 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 49' ' ' ARG . 2.8 m80 -92.05 -176.63 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 0.775 . . . . 0.0 109.6 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.632 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 57.1 m-85 -123.38 98.98 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.663 ' CD1' ' CZ ' ' A' ' 146' ' ' PHE . 1.1 mt -29.9 141.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.533 ' HB2' HG22 ' A' ' 56' ' ' ILE . 1.6 ptp180 -145.52 157.22 44.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.815 HD12 HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -142.09 152.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.599 HD23 ' HB ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -108.95 145.26 31.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 2.64 6.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.74 -53.47 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.04 45.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.599 ' HB ' HD23 ' A' ' 40' ' ' LEU . 1.7 m -142.48 169.41 17.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.429 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.815 HG13 HD12 ' A' ' 39' ' ' ILE . 1.4 t -144.67 164.58 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.667 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 174.29 -171.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.554 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -135.13 165.34 24.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.097 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.484 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 2.7 m -140.02 127.4 21.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.573 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -44.32 -33.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -144.48 115.36 7.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.594 ' NE ' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -35.98 122.25 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t 179.65 70.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -145.59 -178.23 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.593 ' NE2' ' H ' ' A' ' 55' ' ' HIS . 3.3 pm0 -57.98 -40.09 79.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 6.8 m-70 -172.99 105.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.571 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.541 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -111.2 31.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -79.83 123.45 27.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.655 HD13 ' HB3' ' A' ' 37' ' ' LEU . 4.9 mp -130.62 116.37 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -109.49 136.71 48.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.786 HD22 ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -96.39 162.36 13.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 7.1 t -143.02 50.2 1.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.414 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.38 128.74 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.586 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -119.41 -2.26 10.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.9 135.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.39 138.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' HA2' HD23 ' A' ' 100' ' ' LEU . . . 79.31 -3.56 66.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.839 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.6 tt0 -155.85 102.61 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.873 ' O ' HD23 ' A' ' 98' ' ' LEU . 34.8 m -127.2 164.66 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.56 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 19.1 m-85 -117.54 169.34 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.482 ' CG2' ' HB2' ' A' ' 79' ' ' LEU . 13.3 mt -146.41 133.66 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.676 ' HZ3' ' HA2' ' A' ' 76' ' ' GLY . 0.1 OUTLIER -139.86 94.32 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 77' ' ' GLN . 42.7 t -57.23 84.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 73' ' ' THR . 7.3 t -68.94 102.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 1.4 mm-40 164.44 -38.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.514 HG23 ' OE1' ' A' ' 77' ' ' GLN . 3.2 t -129.05 3.59 5.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.676 ' HA2' ' HZ3' ' A' ' 71' ' ' LYS . . . 65.62 76.27 0.34 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.514 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -148.77 144.4 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 19.6 m-85 -112.29 102.76 10.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 39' ' ' ILE . 4.3 tp -42.8 139.09 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -161.35 -175.54 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.555 ' HE1' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -154.27 113.33 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -76.71 177.23 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.0 p -59.45 -14.96 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.492 ' OD2' ' CZ ' ' A' ' 133' ' ' ARG . 2.8 t0 -85.5 8.65 18.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.13 27.08 5.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -105.05 107.1 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 0.814 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.029 HD21 HG23 ' A' ' 123' ' ' VAL . 2.8 mp -41.09 128.61 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.3 p90 -154.39 172.81 17.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -99.43 157.3 19.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.0 t -146.7 116.86 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -69.11 -5.82 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.446 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 7.4 p -114.76 99.61 52.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.457 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.03 101.7 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -157.26 -150.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.11 69.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CD ' ' HH ' ' A' ' 88' ' ' TYR . 27.2 tt0 -178.27 -54.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.3 t -68.1 -32.12 72.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.35 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -54.98 -179.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.805 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -160.79 122.84 3.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.53 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -62.63 104.78 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.57 ' HB2' HG13 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -84.32 160.06 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 110.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.548 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -173.05 79.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -28.57 96.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.7 tm-20 -61.4 -43.86 98.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -130.23 -105.04 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.599 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 5.7 t30 -143.32 36.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 7.3 m170 -176.09 -66.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CD2' HD23 ' A' ' 145' ' ' LEU . 29.7 m-85 -53.41 133.68 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.64 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 13.2 m120 -109.0 78.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.475 ' CG2' ' HG ' ' A' ' 145' ' ' LEU . 70.4 p -68.42 93.68 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.786 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 8.0 m-85 -81.27 -176.5 6.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.995 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -163.41 130.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.587 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 8.6 t -35.89 100.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.53 ' HG2' HD12 ' A' ' 100' ' ' LEU . 2.2 tmtm? -66.98 -26.66 66.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -65.31 -15.73 62.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.587 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -175.02 70.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.61 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.417 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -79.68 -8.04 58.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.09 -22.52 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 4.2 mttt -100.03 1.01 42.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 122' ' ' PHE . 30.5 m120 60.24 28.19 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 26.9 m0 -63.4 80.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 107.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.995 ' CE2' HD11 ' A' ' 112' ' ' ILE . 4.8 m-85 -62.1 177.32 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 1.029 HG23 HD21 ' A' ' 87' ' ' LEU . 5.9 p -113.75 20.95 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.739 ' C ' ' HB1' ' A' ' 143' ' ' ALA . . . -92.35 105.03 3.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.695 ' N ' ' HB1' ' A' ' 143' ' ' ALA . 0.8 OUTLIER -59.33 116.09 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.649 ' O ' ' N ' ' A' ' 128' ' ' ASN . 2.0 tttt -22.29 115.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.534 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -62.46 61.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.649 ' N ' ' O ' ' A' ' 126' ' ' LYS . 8.6 t-20 -135.24 -42.37 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.556 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 130.07 52.77 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 131' ' ' CYS . 1.5 m 169.63 135.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.426 ' SG ' HD23 ' A' ' 125' ' ' LEU . 2.9 t -47.52 171.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.432 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 6.6 tptt -150.25 148.79 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.492 ' CZ ' ' OD2' ' A' ' 84' ' ' ASP . 0.1 OUTLIER -70.76 153.46 42.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.551 ' C ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.42 -56.78 1.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -74.99 54.84 3.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.768 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 175.68 38.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.14 93.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.0 OUTLIER -131.0 -164.46 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.696 ' HA ' HD13 ' A' ' 144' ' ' ILE . 0.1 OUTLIER -56.77 -156.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.419 ' N ' ' O63' ' A' ' 178' ' ' NTS . . . 47.2 22.2 1.33 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.516 ' C ' ' N ' ' A' ' 143' ' ' ALA . 39.7 mt-30 -143.07 103.09 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.568 ' HG3' ' C4 ' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -42.24 -22.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.739 ' HB1' ' C ' ' A' ' 124' ' ' GLY . . . -44.87 -46.51 10.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.956 HG13 HD12 ' A' ' 145' ' ' LEU . 19.1 pt -65.82 -34.68 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.956 HD12 HG13 ' A' ' 144' ' ' ILE . 7.4 mp -77.91 104.49 8.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 1.007 ' HB3' HD21 ' A' ' 28' ' ' LEU . 14.2 m-85 -112.44 125.57 54.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 107' ' ' HIS . 1.0 OUTLIER -110.22 98.73 36.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.415 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.3 Cg_endo -75.04 133.55 16.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.94 HD11 ' HG ' ' A' ' 27' ' ' LEU . 2.8 pp -123.83 73.64 54.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.749 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.03 174.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.811 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -174.48 46.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 14.2 t -59.0 84.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 151' ' ' VAL . 41.4 t -112.51 74.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.966 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.733 ' O61' HD11 ' A' ' 145' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.665 ' HG2' HG23 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.96 54.05 3.5 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -110.64 139.24 46.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.641 ' O ' HD12 ' A' ' 27' ' ' LEU . 3.6 pp -168.47 123.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD22 ' HB3' ' A' ' 146' ' ' PHE . 0.7 OUTLIER -69.94 169.38 13.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.723 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 57.2 t80 -159.5 147.52 17.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.428 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -92.03 147.03 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.424 ' OG ' ' HB3' ' A' ' 142' ' ' LYS . 79.2 p -66.72 -83.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.565 ' HB2' ' CG ' ' A' ' 142' ' ' LYS . 0.9 OUTLIER -72.06 -48.08 46.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' O ' ' ND1' ' A' ' 35' ' ' HIS . . . -55.42 -32.16 57.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 58.63 12.13 12.76 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 78.0 m80 -79.64 140.69 37.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.751 . . . . 0.0 109.596 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 25.6 m-85 -109.84 89.76 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.833 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -36.82 152.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.575 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.99 -178.21 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.634 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -155.68 120.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.812 HD12 ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -105.34 142.11 24.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.673 ' HD3' ' CD2' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.06 5.17 4.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.35 -34.47 23.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.51 33.68 1.28 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.691 ' O ' HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -140.35 120.51 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 110.451 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -108.16 166.76 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.545 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 174.27 -170.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.901 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -133.42 122.27 3.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.491 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 1.1 m -89.92 136.97 32.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.36 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -47.16 -43.1 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.531 ' O ' ' C ' ' A' ' 51' ' ' ARG . 56.6 m-20 -146.93 112.95 5.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.605 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -25.67 92.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' ASP . 6.3 p -127.61 31.05 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.576 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -126.16 -178.08 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.605 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -92.16 -36.91 13.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.812 ' CE1' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.29 86.93 2.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.576 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -128.9 17.82 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 22.4 mp0 -84.83 162.35 19.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -147.53 165.14 31.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 3.8 tp60 -161.65 132.34 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.655 HD13 ' OH ' ' A' ' 111' ' ' TYR . 1.1 mt -93.63 160.03 14.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' ALA . 10.2 t -147.01 49.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.597 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -38.86 124.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -117.68 1.89 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 177.55 173.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.416 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -81.41 148.72 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.61 13.33 37.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.988 ' HB2' HD22 ' A' ' 98' ' ' LEU . 1.4 pm0 -166.94 118.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.798 HG11 ' OE1' ' A' ' 101' ' ' GLU . 27.6 m -134.97 164.51 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 18.8 m-85 -111.71 167.26 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.713 HD12 ' HD2' ' A' ' 99' ' ' PHE . 95.9 mt -142.8 126.05 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.609 ' CG ' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -129.53 92.86 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 t -54.11 95.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 73' ' ' THR . 13.5 t -54.52 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.82 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.494 HG21 HG23 ' A' ' 39' ' ' ILE . 30.0 p -80.27 -120.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.86 30.47 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.509 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -135.8 -169.08 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 71' ' ' LYS . 6.1 m-85 -138.85 131.49 28.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.461 ' HA ' HD12 ' A' ' 79' ' ' LEU . 5.3 tp -41.22 146.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.563 ' CB ' ' CE1' ' A' ' 88' ' ' TYR . . . -165.25 177.42 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.568 ' SD ' HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -147.83 88.78 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.536 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 16.1 m-20 -46.02 168.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.979 HG22 ' HE2' ' A' ' 115' ' ' LYS . 32.5 p -63.16 -11.83 23.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.395 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -78.28 -9.16 59.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.48 23.43 78.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 3.1 tt -112.06 111.7 22.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.568 HD12 ' SD ' ' A' ' 81' ' ' MET . 3.8 mp -39.38 134.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.563 ' CE1' ' CB ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -161.38 163.16 30.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.52 152.67 17.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 t -147.6 127.87 13.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 0.0 110.034 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.98 -1.1 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.474 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 8.6 p -114.85 96.92 46.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.449 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.478 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -75.04 106.42 2.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.478 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.7 OUTLIER -149.88 -158.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.57 68.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' ASN . 24.3 tt0 -178.19 -59.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 5.2 t -61.44 -33.15 73.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.988 HD22 ' HB2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -55.21 173.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.713 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -149.51 113.17 5.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 114' ' ' LYS . 0.2 OUTLIER -56.71 98.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.798 ' OE1' HG11 ' A' ' 68' ' ' VAL . 11.7 tt0 -61.54 167.24 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 104' ' ' GLU . 4.3 mtm180 179.58 93.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.585 HD21 ' N ' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -58.61 83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.557 ' HG3' HD21 ' A' ' 145' ' ' LEU . 2.0 tm-20 -46.35 -45.98 17.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 1.6 tt0 -129.8 -102.7 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 16.4 t30 -141.7 36.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.655 ' HB3' HD23 ' A' ' 147' ' ' LEU . 6.9 m170 -176.28 -59.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.412 ' HB3' ' HA ' ' A' ' 145' ' ' LEU . 6.3 m-85 -63.69 103.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.567 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 37.4 m-20 -85.8 64.72 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.874 ' CG2' HD23 ' A' ' 145' ' ' LEU . 40.7 p -51.24 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.404 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.655 ' OH ' HD13 ' A' ' 60' ' ' LEU . 43.6 m-85 -79.55 -167.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.79 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -169.52 119.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 112' ' ' ILE . 79.4 p -33.91 100.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.553 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -57.61 -17.44 14.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.979 ' HE2' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -89.18 -12.05 42.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.76 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 2.4 m-70 -143.1 39.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.53 -17.78 62.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -78.3 -20.04 52.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -102.38 -4.8 24.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.36 15.07 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.76 ' CZ3' ' CE1' ' A' ' 116' ' ' HIS . 35.4 m0 -56.47 95.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 108.05 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.79 ' CE1' HD11 ' A' ' 112' ' ' ILE . 16.7 m-85 -74.35 -172.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.61 ' O ' HG22 ' A' ' 123' ' ' VAL . 4.3 p -121.52 13.48 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.493 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -84.92 105.88 2.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -60.07 121.0 10.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.5 tttt -24.58 119.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -64.33 60.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.605 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -140.65 -44.44 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.585 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 128.08 62.38 0.12 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.08 123.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.6 t -41.37 156.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 21.1 tptt -126.09 160.47 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.419 ' NE ' ' HG2' ' A' ' 135' ' ' PRO . 10.6 ptm180 -85.92 158.97 19.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -40.81 -57.04 2.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.419 ' HG2' ' NE ' ' A' ' 133' ' ' ARG . 18.3 Cg_endo -75.0 65.1 6.07 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.433 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 170.99 39.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 121' ' ' TRP . 7.4 p -146.98 96.98 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.452 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -141.84 175.83 9.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.612 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.647 ' CD2' ' O61' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -52.85 -166.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.492 ' N ' ' O62' ' A' ' 178' ' ' NTS . . . 60.46 4.31 3.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.512 ' C ' ' H ' ' A' ' 143' ' ' ALA . 3.3 mp0 -125.04 103.42 8.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.567 ' HG2' ' C4 ' ' A' ' 178' ' ' NTS . 4.6 mmtt -52.69 -10.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 125' ' ' LEU . . . -53.55 -34.91 59.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.516 HG13 ' CG2' ' A' ' 110' ' ' THR . 4.4 pt -74.41 -29.76 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.874 HD23 ' CG2' ' A' ' 110' ' ' THR . 45.1 mt -66.55 108.36 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.493 ' CZ ' ' HA2' ' A' ' 124' ' ' GLY . 12.6 m-85 -120.81 121.83 39.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 107' ' ' HIS . 1.4 tm? -111.83 102.64 54.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.535 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -74.99 142.31 27.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -129.29 68.85 80.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.881 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.97 171.43 18.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.1 OUTLIER -171.59 36.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.7 t -39.5 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.4 t -172.82 71.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.039 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.647 ' O61' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.513 ' O ' HG22 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.98 -44.2 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -99.81 141.55 32.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 27' ' ' LEU . 2.2 pp -174.73 113.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.86 165.84 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -158.01 129.46 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -73.07 152.07 41.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 108.33 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 87.6 p -60.72 -87.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.456 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -77.85 -51.17 10.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -33.74 -41.7 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 71.05 2.73 48.84 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' NE2' ' C ' ' A' ' 128' ' ' ASN . 37.9 m80 -76.73 159.76 29.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 109.607 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 53.2 m-85 -130.27 97.37 4.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.775 HD11 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -39.71 159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.87 159.19 42.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.602 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -132.19 110.78 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -88.15 139.71 30.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.494 ' HB3' HG21 ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.97 11.38 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -95.79 -30.45 13.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.89 21.08 4.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 111.05 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.604 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -123.56 132.39 53.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -109.32 167.24 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.549 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 176.84 -168.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.79 154.2 21.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.456 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.2 m -132.69 131.6 41.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -43.71 -45.72 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 51' ' ' ARG . 1.2 m-20 -139.74 112.4 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.575 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -29.82 121.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t 179.81 69.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 10.2 t0 -141.68 -174.28 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.469 HE22 HD23 ' A' ' 40' ' ' LEU . 3.5 pm0 -58.29 -34.76 70.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -177.8 108.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -110.37 15.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.406 ' NE2' ' HD2' ' A' ' 25' ' ' PRO . 1.8 mt-30 -64.94 111.26 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.544 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 5.3 mt -111.16 133.95 53.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.504 ' CB ' HG23 ' A' ' 73' ' ' THR . 0.0 OUTLIER -131.55 135.61 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.805 HD22 ' OH ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -103.71 163.19 12.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 t -139.3 54.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -40.8 125.91 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -114.82 -3.78 12.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.21 137.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -41.61 137.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 3.54 70.79 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.612 ' HG2' HD13 ' A' ' 98' ' ' LEU . 2.5 tt0 -157.15 104.97 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.865 ' O ' HD23 ' A' ' 98' ' ' LEU . 23.8 m -132.75 162.27 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.516 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 25.8 m-85 -117.41 170.31 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.4 mt -146.47 129.15 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -134.88 116.33 14.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.602 ' CB ' HG21 ' A' ' 39' ' ' ILE . 1.2 t -50.07 100.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.504 HG23 ' CB ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -55.75 77.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.587 ' N ' ' O ' ' A' ' 72' ' ' SER . 18.8 tp10 173.21 -73.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.494 HG21 ' HB3' ' A' ' 41' ' ' PRO . 10.1 p -89.84 -132.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.496 ' HA2' ' HZ3' ' A' ' 71' ' ' LYS . . . -140.77 42.37 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.81 115.88 30.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.791 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 41.6 m-85 -91.99 107.51 19.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.585 HD13 ' CD1' ' A' ' 39' ' ' ILE . 6.5 tp -42.81 150.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -171.66 -178.05 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.843 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -141.25 116.2 9.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 88' ' ' TYR . 33.7 m-20 -72.05 171.97 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 p -58.88 -15.67 13.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.82 5.02 26.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.495 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 58.31 23.48 53.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -106.15 105.93 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.843 HD12 ' HG3' ' A' ' 81' ' ' MET . 1.4 mp -38.95 138.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 82' ' ' ASP . 3.1 p90 -165.75 154.36 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.08 151.44 19.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.46 158.86 44.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -90.35 31.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.4 p -135.07 89.47 23.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.446 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.97 102.91 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.446 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.4 m-80 -157.65 -163.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -39.76 -41.11 1.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.458 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 9.1 tt0 -57.95 -74.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -44.37 -39.94 5.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 108.305 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.865 HD23 ' O ' ' A' ' 68' ' ' VAL . 5.5 mt -48.9 167.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.693 ' HZ ' HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -151.13 102.97 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -52.48 101.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.603 ' CD ' HG11 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -67.14 176.73 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 101' ' ' GLU . 6.7 mtm180 -179.69 94.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 108' ' ' TYR . 13.5 tp -55.84 87.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.599 ' OE1' HD22 ' A' ' 145' ' ' LEU . 0.6 OUTLIER -64.52 -56.89 11.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 0.7 OUTLIER -99.52 -121.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.567 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 36.4 p-10 -132.02 39.39 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 13.4 m-70 -179.99 -61.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.545 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 145' ' ' LEU . 15.6 m-85 -43.05 153.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.613 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 20.7 m120 -125.68 63.3 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.48 ' CG2' HG13 ' A' ' 144' ' ' ILE . 67.1 p -54.56 97.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.845 ' CE2' HG21 ' A' ' 68' ' ' VAL . 24.6 m-85 -79.56 -177.6 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -159.04 131.62 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.591 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 22.8 t -42.03 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.477 ' CD ' ' HG3' ' A' ' 67' ' ' GLU . 15.2 tttp -63.73 -24.02 67.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.519 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -66.83 -10.81 51.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.591 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.95 61.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.564 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.469 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -72.33 -14.69 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.13 -17.83 21.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.555 ' CD ' ' CZ2' ' A' ' 121' ' ' TRP . 0.2 OUTLIER -99.78 -2.26 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 137' ' ' THR . 30.7 m120 62.12 37.73 14.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 39.3 m0 -78.92 95.73 5.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CD2' HD12 ' A' ' 144' ' ' ILE . 14.0 m-85 -76.23 -179.77 5.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.767 HG23 HD21 ' A' ' 87' ' ' LEU . 7.6 p -113.62 36.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.486 ' C ' HD23 ' A' ' 125' ' ' LEU . . . -93.39 119.95 6.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 131' ' ' CYS . 2.2 mt -95.15 125.63 39.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 128' ' ' ASN . 74.7 tttt -36.84 131.49 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -69.34 58.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 126' ' ' LYS . 3.7 m120 -143.28 -45.55 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.52 71.39 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 169.98 120.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.552 ' HA ' HD13 ' A' ' 125' ' ' LEU . 24.5 t -49.47 156.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 131' ' ' CYS . 0.3 OUTLIER -98.77 168.4 10.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.415 ' CD ' ' HG2' ' A' ' 135' ' ' PRO . 2.5 ptp180 -99.14 151.35 21.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -38.44 -54.38 2.18 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.494 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -75.0 51.24 2.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.445 1.761 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.2 OUTLIER 169.5 39.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.441 ' H ' ' CE1' ' A' ' 138' ' ' HIS . 0.2 OUTLIER -126.61 60.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.49 ' N ' ' ND1' ' A' ' 138' ' ' HIS . 0.1 OUTLIER -131.97 133.82 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.564 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.699 ' HB2' HD11 ' A' ' 144' ' ' ILE . 10.2 p90 -54.77 -171.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.454 ' O ' ' NE2' ' A' ' 141' ' ' GLN . . . 144.48 -16.71 2.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.542 ' HB2' ' C5 ' ' A' ' 178' ' ' NTS . 2.2 mp0 -135.5 -78.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 141' ' ' GLN . 0.0 OUTLIER 170.86 44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.609 ' HB2' ' C5 ' ' A' ' 178' ' ' NTS . . . -100.18 11.73 38.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 139' ' ' TYR . 1.1 pt -123.82 -24.29 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.641 ' N ' HD23 ' A' ' 145' ' ' LEU . 3.0 mt -54.24 100.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.775 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 4.6 m-85 -108.04 120.74 43.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.37 99.11 39.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 142.23 27.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.568 1.825 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.624 HD11 ' HG ' ' A' ' 27' ' ' LEU . 1.4 pp -132.99 65.1 73.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.855 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.01 165.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.4 OUTLIER -167.52 57.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.4 t -60.16 83.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.97 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 151' ' ' VAL . 33.4 t -132.7 56.03 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.609 ' C5 ' ' HB2' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -51.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -157.58 150.08 22.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.828 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -152.27 100.67 2.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -66.59 167.92 10.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.431 ' HD1' ' CE2' ' A' ' 36' ' ' PHE . 84.8 t80 -160.36 124.28 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER -79.45 143.24 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 108.293 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 p -57.85 -91.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 142' ' ' LYS . 1.7 t30 -62.98 -67.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -35.45 -37.68 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.08 17.48 44.88 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.451 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 3.7 m80 -85.38 159.1 20.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.685 ' CZ ' ' CZ ' ' A' ' 51' ' ' ARG . 72.7 m-85 -120.45 97.2 5.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.857 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -40.22 144.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.624 ' NH2' HG21 ' A' ' 48' ' ' THR . 9.1 ptp180 -139.29 141.17 37.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.73 HD12 HD13 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -120.28 120.8 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.827 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -93.79 138.01 22.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.571 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.01 10.38 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -93.58 -28.26 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.68 21.73 3.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.827 ' HB ' HD12 ' A' ' 40' ' ' LEU . 4.5 m -124.75 142.46 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 1.6 t -124.79 165.51 21.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.591 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 173.07 -171.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.888 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -127.79 166.43 20.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.624 HG21 ' NH2' ' A' ' 38' ' ' ARG . 56.9 m -142.61 123.76 14.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -45.13 -25.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -155.41 128.73 8.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.685 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -49.11 91.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' ASP . 5.2 p -136.38 46.18 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.945 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.527 ' CB ' ' CG2' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -119.86 -171.3 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.573 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -85.04 -39.6 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.573 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -155.8 99.81 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.527 ' CG2' ' CB ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -113.73 18.14 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.648 ' O ' HD23 ' A' ' 58' ' ' LEU . 9.7 mp0 -66.73 166.63 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 57' ' ' GLN . 53.7 mt -155.92 -176.14 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 1.8 tt0 -173.13 132.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.31 161.88 13.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.4 t -146.62 53.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -40.15 127.34 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.8 pp20? -121.16 1.1 10.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 160.79 123.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -37.31 148.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.558 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 69.76 9.43 62.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.911 ' HG2' HD22 ' A' ' 98' ' ' LEU . 4.0 tt0 -172.73 106.09 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.837 ' O ' HD23 ' A' ' 98' ' ' LEU . 28.3 m -127.44 166.05 25.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.542 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 10.5 m-85 -110.26 165.05 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.602 HD12 ' HD2' ' A' ' 99' ' ' PHE . 57.0 mt -144.25 127.0 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -126.09 125.78 43.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.642 ' CB ' HG21 ' A' ' 39' ' ' ILE . 2.6 t -67.46 71.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 73' ' ' THR . 14.6 t -53.1 89.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.388 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' SER . 0.6 OUTLIER 171.41 -44.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 41' ' ' PRO . 69.0 p -103.01 -102.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.43 ' N ' ' OG1' ' A' ' 75' ' ' THR . . . -177.38 33.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -125.63 -168.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 36.8 m-85 -137.3 165.92 25.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.73 HD13 HD12 ' A' ' 39' ' ' ILE . 15.0 tp -101.13 134.96 43.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.731 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -153.96 -165.31 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.513 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -153.81 88.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.566 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 61.4 m-20 -48.88 175.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.401 ' HA ' ' NE2' ' A' ' 116' ' ' HIS . 9.7 m -62.44 -13.25 27.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -90.15 21.8 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.0 29.8 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' ASP . 3.3 tt -107.41 106.36 16.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.666 HD12 ' H ' ' A' ' 87' ' ' LEU . 6.3 mp -39.55 114.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -142.47 168.87 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -120.34 154.86 16.33 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.32 158.83 44.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.32 38.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.2 p -143.49 93.45 6.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.436 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.03 105.43 2.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.436 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 3.2 m-80 -155.31 -167.77 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -38.58 -44.93 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' CG ' ' HG3' ' A' ' 115' ' ' LYS . 18.5 tt0 -56.26 -73.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.731 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 14.2 t -42.89 -43.34 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.911 HD22 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -51.28 172.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.602 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -152.22 99.01 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -39.64 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.632 ' HB2' HG22 ' A' ' 68' ' ' VAL . 27.2 tt0 -77.66 160.37 28.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.879 ' NH2' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER 178.55 76.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 106' ' ' ASN . 8.5 tp -35.12 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.648 ' OE1' HD11 ' A' ' 145' ' ' LEU . 1.4 tm-20 -45.09 -60.09 2.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -115.12 -100.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.571 ' HA ' HD21 ' A' ' 103' ' ' LEU . 47.5 p-10 -146.42 50.63 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.9 m170 179.97 -52.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.753 ' CE2' HD23 ' A' ' 145' ' ' LEU . 4.5 m-85 -77.82 131.8 37.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.595 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 14.2 m120 -102.36 50.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 104' ' ' GLU . 46.4 p -47.35 97.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 109' ' ' ASN . 3.1 m-85 -86.28 -171.36 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.879 HD12 ' NH2' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -154.54 121.81 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.458 ' HB3' ' CE ' ' A' ' 81' ' ' MET . 59.5 p -39.74 95.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.51 ' CE ' ' CD ' ' A' ' 67' ' ' GLU . 4.6 tttm -55.02 -18.42 5.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.436 ' HG3' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -72.27 -19.04 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.513 ' CE1' ' O ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -163.93 65.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.604 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.525 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -86.5 -22.95 26.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.94 -15.22 20.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.6 OUTLIER -102.56 -1.11 31.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.1 m120 64.02 46.05 3.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 45.3 m0 -91.73 102.37 14.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 107.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.705 ' CD2' HD12 ' A' ' 144' ' ' ILE . 12.2 m-85 -77.37 -176.44 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 111' ' ' TYR . 4.0 p -124.07 91.86 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.412 ' HA3' ' C ' ' A' ' 143' ' ' ALA . . . -160.02 134.74 3.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.888 HD22 ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -80.71 124.97 29.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -24.75 122.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.03 60.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.6 m-20 -160.68 -41.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 136.55 88.99 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 169.8 158.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 6.2 t -101.89 144.66 30.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.467 ' CD ' ' HB ' ' A' ' 137' ' ' THR . 0.0 OUTLIER -69.57 179.44 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -165.63 58.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 117.28 -137.43 13.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.477 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 18.4 Cg_endo -75.06 60.55 5.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.445 ' CB ' ' HG3' ' A' ' 132' ' ' LYS . 0.8 OUTLIER -130.86 3.69 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.602 ' C ' ' CG ' ' A' ' 138' ' ' HIS . 4.9 t -123.26 119.21 29.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.602 ' CG ' ' C ' ' A' ' 137' ' ' THR . 0.1 OUTLIER -163.99 -179.04 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.604 ' CD2' ' O63' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -53.13 -167.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.443 ' N ' ' O61' ' A' ' 178' ' ' NTS . . . 58.78 10.4 8.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.472 ' C ' ' N ' ' A' ' 143' ' ' ALA . 58.1 mt-30 -136.96 106.33 6.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.53 ' HD3' ' C3 ' ' A' ' 178' ' ' NTS . 1.6 mptp? -51.45 -14.84 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.472 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -51.1 -28.66 11.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.705 HD12 ' CD2' ' A' ' 122' ' ' PHE . 3.6 pt -78.66 -31.0 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.753 HD23 ' CE2' ' A' ' 108' ' ' TYR . 5.0 mp -65.83 106.0 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.8 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 6.0 m-85 -117.91 119.43 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.422 ' CD2' ' HD2' ' A' ' 148' ' ' PRO . 0.2 OUTLIER -108.85 105.96 57.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.422 ' HD2' ' CD2' ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.02 127.33 10.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.2 pp -134.53 64.45 64.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.812 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.02 172.58 16.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.812 HG13 ' O ' ' A' ' 150' ' ' PRO . 2.1 m -163.81 36.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 15.3 t -41.99 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 46.1 t -171.16 73.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.604 ' O63' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -64.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 27' ' ' LEU . 6.9 tttt -176.98 145.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -136.68 102.96 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -68.12 167.57 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.769 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 24.6 t80 -162.65 152.15 15.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.61 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 46.8 m -82.66 157.54 23.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.575 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 28.9 t -68.22 -142.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.591 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -36.99 145.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.591 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 20.45 52.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.61 ' HA3' ' CB ' ' A' ' 30' ' ' CYS . . . -104.64 164.33 14.62 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.595 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 0.5 OUTLIER -101.09 -159.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.606 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.769 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 50.1 m-85 -134.72 101.62 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.925 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -41.55 163.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -154.55 158.77 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -127.88 108.57 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.826 HD12 ' HB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -88.02 141.35 31.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.98 7.95 2.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.91 -33.38 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.79 32.73 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.826 ' HB ' HD12 ' A' ' 40' ' ' LEU . 3.5 m -127.09 161.18 29.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.424 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -131.3 163.4 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.701 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 177.97 -173.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.948 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -135.32 138.37 9.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.46 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 1.8 m -107.33 122.02 45.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -46.0 22.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 51' ' ' ARG . 4.7 m-20 -128.01 90.34 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.627 ' CG ' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -25.96 116.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.2 t 179.56 69.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . 6.3 t0 -136.76 -175.22 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.471 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -55.72 -44.85 77.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.509 ' CD2' ' OE1' ' A' ' 74' ' ' GLU . 25.2 m-70 -166.55 102.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.909 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -110.7 -0.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 57' ' ' GLN . 7.1 mp0 -56.64 144.39 32.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.7 mp -141.02 178.67 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' NE2' ' HD3' ' A' ' 26' ' ' LYS . 5.8 tp-100 -168.22 149.66 5.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD21 ' CZ ' ' A' ' 111' ' ' TYR . 1.2 mt -105.53 166.66 10.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 69' ' ' TYR . 5.1 t -147.06 53.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.07 125.85 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.882 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -116.07 -2.17 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 158.57 130.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -40.1 139.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.62 3.84 83.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.891 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.6 tt0 -164.56 106.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.831 ' O ' HD23 ' A' ' 98' ' ' LEU . 33.2 m -127.43 168.38 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.526 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 11.1 m-85 -119.18 169.59 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.554 ' CG1' HD23 ' A' ' 60' ' ' LEU . 97.0 mt -145.59 128.99 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -136.0 106.86 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' GLU . 7.6 t -66.61 79.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -51.22 90.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.509 ' OE1' ' CD2' ' A' ' 55' ' ' HIS . 3.6 mm-40 -170.72 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.793 HG23 ' OE1' ' A' ' 77' ' ' GLN . 2.1 t -157.79 58.24 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 32.26 91.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.793 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -152.53 121.75 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 55.4 m-85 -106.51 106.64 17.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.478 ' HB2' HG22 ' A' ' 70' ' ' ILE . 8.4 tp -46.63 157.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -170.76 -169.76 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.576 ' HE1' HG21 ' A' ' 137' ' ' THR . 0.0 OUTLIER -155.74 88.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.457 ' O ' ' NE2' ' A' ' 116' ' ' HIS . 12.1 m-20 -46.57 165.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.56 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 2.5 m -56.65 -16.72 6.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 134' ' ' GLY . 3.1 m-20 -80.81 3.58 22.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.72 29.98 58.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.753 HD12 ' HD2' ' A' ' 133' ' ' ARG . 5.4 tt -109.37 108.85 19.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.52 HD21 HG23 ' A' ' 123' ' ' VAL . 2.5 mp -39.79 120.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 90' ' ' SER . 0.3 OUTLIER -151.79 160.53 43.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.98 142.9 17.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -146.66 155.46 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.017 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.03 38.86 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.438 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 14.5 p -134.62 89.34 26.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.2 Cg_endo -74.97 101.65 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.8 OUTLIER -157.68 -154.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.38 59.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' ASN . 6.1 tt0 -167.14 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.466 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -73.25 -23.27 60.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.891 HD22 ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -71.39 175.54 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.606 ' CE2' HG21 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -153.71 121.71 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.514 HD12 ' HG3' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -62.56 99.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 3.4 tt0 -80.14 138.08 36.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -155.04 82.12 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.6 tp -29.93 99.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.607 ' OE2' HD21 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -58.84 -53.81 54.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -110.96 -106.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.625 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 4.3 t30 -147.83 39.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 21.6 m170 -165.09 -76.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.607 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.6 ' CD1' HD23 ' A' ' 147' ' ' LEU . 26.1 m-85 -45.34 171.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.616 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 71.1 m-20 -128.47 50.72 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.526 ' OG1' ' CB ' ' A' ' 104' ' ' GLU . 14.8 p -48.27 109.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.117 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.651 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -99.52 -170.55 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.643 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -157.95 111.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.607 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 0.9 OUTLIER -32.46 98.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.514 ' HG3' HD12 ' A' ' 100' ' ' LEU . 10.6 tttm -58.45 -18.13 26.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HD3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -68.66 -9.81 52.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.607 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -177.16 69.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.616 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.505 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -93.99 14.79 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.32 -21.36 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -108.65 5.24 24.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER 66.13 23.91 10.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.577 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 35.3 m0 -60.62 83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.967 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.678 ' CZ ' ' CD1' ' A' ' 139' ' ' TYR . 8.9 m-85 -60.05 -172.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.606 HG21 ' CE2' ' A' ' 99' ' ' PHE . 3.3 p -126.65 101.21 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.64 ' C ' ' HB1' ' A' ' 143' ' ' ALA . . . -174.53 136.22 3.43 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.157 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.948 HD13 ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -78.27 118.91 20.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 128' ' ' ASN . 16.0 tttt -24.39 118.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -62.43 60.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.652 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.4 m-20 -142.66 -45.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.595 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 139.99 57.27 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.59 150.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.444 ' HB2' HD23 ' A' ' 125' ' ' LEU . 13.0 t -92.86 161.57 14.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -123.4 177.89 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.753 ' HD2' HD12 ' A' ' 86' ' ' LEU . 11.6 ptt180 -143.59 128.06 17.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 87.79 -137.06 14.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.473 ' HA ' ' NE1' ' A' ' 121' ' ' TRP . 18.4 Cg_endo -74.98 72.64 4.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.47 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 1.4 mpt_? -155.27 23.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.576 HG21 ' HE1' ' A' ' 81' ' ' MET . 6.1 t -145.24 94.09 2.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.475 ' H ' ' NE2' ' A' ' 141' ' ' GLN . 21.8 m80 -136.66 -174.03 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.596 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.678 ' CD1' ' CZ ' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -56.52 -156.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.949 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 39.54 26.99 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.437 1.086 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.547 ' O ' ' N ' ' A' ' 143' ' ' ALA . 47.0 mt-30 -139.81 95.89 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 0.796 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.531 ' HG3' ' C4 ' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -39.04 -24.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.64 ' HB1' ' C ' ' A' ' 124' ' ' GLY . . . -49.35 -41.43 38.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.981 HG13 HD12 ' A' ' 145' ' ' LEU . 10.8 pt -68.33 -34.28 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.981 HD12 HG13 ' A' ' 144' ' ' ILE . 8.0 mp -76.7 112.16 12.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.706 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 11.5 m-85 -116.58 119.76 36.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.6 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -103.27 107.1 54.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.16 13.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.643 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.8 pp -131.72 66.56 78.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.892 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 167.86 26.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -171.76 54.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 16.7 t -53.63 89.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 151' ' ' VAL . 41.4 t -137.91 59.71 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.797 ' O61' HD11 ' A' ' 145' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.668 ' HB2' HG23 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.96 119.1 5.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER 167.63 138.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.213 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -167.71 115.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -67.48 -173.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.785 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 7.6 t80 179.39 152.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.636 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 67.7 m -77.14 157.49 30.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.8 t -71.87 -106.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.04 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.77 ' O ' ' N ' ' A' ' 34' ' ' GLY . 27.0 t30 -38.76 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 16.65 44.93 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.77 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -74.47 -151.33 2.38 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.648 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 1.3 m80 -107.7 176.9 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.785 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 24.3 m-85 -116.52 104.72 11.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.754 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -34.95 149.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.462 ' NE ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -149.08 132.03 16.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -110.49 112.27 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.12 142.62 36.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD3' ' CE1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.98 8.68 2.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.79 -28.96 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.4 18.06 5.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.636 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -122.11 134.18 54.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 110.405 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -108.63 166.72 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.68 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -177.96 -163.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.454 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -147.62 128.3 2.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.473 ' C ' ' HB3' ' A' ' 35' ' ' HIS . 1.1 m -98.76 124.19 43.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 110.366 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 17.6 ptt-85 -38.23 -53.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 51' ' ' ARG . 23.6 m-20 -131.3 107.15 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.606 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -24.28 111.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.5 t -161.88 60.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.576 ' HB3' HG23 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -135.35 -169.09 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.586 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -84.04 -38.47 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.586 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -155.33 100.98 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.884 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -121.38 5.18 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 72.0 mt-30 -60.43 169.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 14.8 mt -153.27 176.88 11.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.03 117.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.742 HD23 HG23 ' A' ' 70' ' ' ILE . 7.6 mt -80.16 154.24 28.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -144.89 47.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.973 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.738 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -38.2 124.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.65 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -105.59 -9.59 17.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.39 -163.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.425 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -90.68 154.45 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' ' CD2' ' A' ' 100' ' ' LEU . . . 50.18 27.47 11.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.961 ' HB2' HD22 ' A' ' 98' ' ' LEU . 1.5 pt-20 -178.27 127.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.761 ' O ' HD23 ' A' ' 98' ' ' LEU . 14.6 m -141.06 166.25 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.602 ' CE2' ' SG ' ' A' ' 97' ' ' CYS . 23.9 m-85 -119.97 105.76 11.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.742 HG23 HD23 ' A' ' 60' ' ' LEU . 5.3 mt -90.26 136.1 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.4 136.68 41.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.461 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 29.6 t -89.67 78.66 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 73' ' ' THR . 15.3 t -64.1 84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 179.32 -44.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.439 ' CG2' ' CG2' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -114.6 -29.24 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.426 ' HA2' ' NZ ' ' A' ' 71' ' ' LYS . . . 97.68 80.48 1.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.21 151.94 19.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 74.2 m-85 -120.46 111.83 18.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tp -44.6 131.57 6.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.661 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -156.26 168.48 27.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.614 ' SD ' HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -142.18 116.65 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.589 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 56.3 m-20 -74.83 174.11 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 p -57.35 -16.67 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.35 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.53 9.15 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.508 ' O ' ' HE3' ' A' ' 81' ' ' MET . . . 51.23 20.7 5.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -96.56 103.61 15.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.997 HD21 HG23 ' A' ' 123' ' ' VAL . 4.7 mp -38.64 132.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.589 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -162.1 159.2 25.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.053 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -120.26 155.52 16.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.64 159.33 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 91' ' ' GLN . 7.7 tt0 -79.56 3.97 17.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.6 p -114.87 89.89 20.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HA ' ' SG ' ' A' ' 97' ' ' CYS . 18.2 Cg_endo -75.03 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 3.0 m-80 -147.18 -173.87 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.498 ' HA ' HD12 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -42.78 -27.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 94' ' ' ASN . 50.9 tt0 -73.9 -45.9 47.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.4 p -67.81 -32.94 73.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.961 HD22 ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -51.65 169.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -149.46 97.56 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.567 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -42.97 105.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -118.22 146.92 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.55 HH21 HD12 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -139.21 -90.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER 178.41 119.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.934 ' CD ' HD21 ' A' ' 145' ' ' LEU . 7.3 tm-20 -92.31 -41.25 10.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.524 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -130.37 -98.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.616 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 15.7 t-20 -161.94 36.12 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 106' ' ' ASN . 21.4 m170 -165.16 -69.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.734 ' CD2' HD22 ' A' ' 145' ' ' LEU . 24.4 m-85 -51.35 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.607 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 27.7 m120 -151.36 76.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.505 ' CG2' HG13 ' A' ' 144' ' ' ILE . 72.8 p -68.06 98.4 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 13.5 m-85 -79.21 -175.8 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.914 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -166.53 128.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.552 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 8.9 t -34.79 109.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.047 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.567 ' HG2' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -75.01 -28.35 60.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.47 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -67.28 -9.73 43.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.552 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -179.96 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.576 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.544 ' HB1' ' CG2' ' A' ' 112' ' ' ILE . . . -83.08 -3.76 57.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.03 -17.96 55.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -102.29 -0.9 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 68.87 15.63 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 39.1 m0 -49.26 110.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.914 ' CE1' HD11 ' A' ' 112' ' ' ILE . 24.1 m-85 -93.3 178.73 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.997 HG23 HD21 ' A' ' 87' ' ' LEU . 7.5 p -113.9 12.24 8.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -84.54 101.54 2.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.68 HD22 ' C ' ' A' ' 46' ' ' ASP . 1.2 mp -58.82 120.14 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.626 ' O ' ' N ' ' A' ' 128' ' ' ASN . 6.0 tttt -24.51 116.87 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.56 60.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.626 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.1 t-20 -140.77 -43.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.648 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 135.63 56.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.48 144.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 13.7 t -69.9 162.14 28.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.34 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.491 ' CD ' ' HB3' ' A' ' 136' ' ' ARG . 1.2 mttp -129.52 145.36 51.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.73 170.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.608 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -44.43 -60.91 3.45 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.505 ' O ' ' CD ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -74.98 52.62 3.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 135' ' ' PRO . 1.0 OUTLIER -164.93 28.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 6.8 p -142.15 98.17 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -141.99 175.2 9.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.617 ' CE2' ' O61' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -54.36 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.014 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.533 ' N ' ' O62' ' A' ' 178' ' ' NTS . . . 64.18 4.34 11.63 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.48 ' C ' ' N ' ' A' ' 143' ' ' ALA . 3.9 mp0 -131.04 105.08 7.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 0.805 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.996 ' HA ' HD12 ' A' ' 145' ' ' LEU . 1.8 mmtt -53.1 -12.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.48 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -50.56 -36.18 33.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.655 HD12 ' CE2' ' A' ' 122' ' ' PHE . 3.0 pt -72.38 -30.92 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.996 HD12 ' HA ' ' A' ' 142' ' ' LYS . 6.8 mt -67.81 113.34 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.754 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 3.2 m-85 -117.77 116.9 27.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 149' ' ' LEU . 1.3 tm? -106.13 104.27 48.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.513 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -75.03 144.12 29.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -135.13 62.46 51.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.883 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -75.02 177.16 8.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -177.47 44.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.9 t -42.25 104.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 31.2 t -173.19 71.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.617 ' O61' ' CE2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.527 ' O ' HG21 ' A' ' 73' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 137.69 21.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.533 ' CE ' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -170.25 146.33 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.59 ' CD1' HD21 ' A' ' 149' ' ' LEU . 1.3 pp -153.83 123.62 6.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HG ' ' NZ ' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -69.66 153.4 43.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.564 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 41.4 t80 -139.68 118.23 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 137.64 58.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 108.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.449 ' CB ' ' HB2' ' A' ' 145' ' ' LEU . 29.4 t -46.15 -87.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 33' ' ' GLY . 2.7 t30 -73.32 -63.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -33.24 -38.47 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.566 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 64.41 9.01 34.63 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 19.9 m80 -73.38 152.47 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 0.81 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 50' ' ' ASP . 19.8 m-85 -120.11 104.1 9.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.768 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -46.63 164.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -145.64 -177.75 5.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.652 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -156.25 139.16 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -111.85 144.17 30.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.98 3.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -91.55 -49.2 6.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.45 48.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.494 ' CB ' HD23 ' A' ' 40' ' ' LEU . 1.3 m -141.41 168.61 19.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 110.373 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 1.8 t -146.2 168.19 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 176.41 -169.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.688 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -133.62 172.19 21.69 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.452 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 32.0 m -154.69 123.51 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.43 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -38.46 -43.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -142.61 124.48 15.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.47 123.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -179.67 68.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.453 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 5.4 t0 -144.72 -175.96 4.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.43 ' NE2' ' H ' ' A' ' 55' ' ' HIS . 3.5 pm0 -60.5 -40.11 90.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.43 ' H ' ' NE2' ' A' ' 54' ' ' GLN . 6.1 m-70 -171.03 104.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.495 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -104.45 8.64 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 73' ' ' THR . 32.3 mt-30 -45.16 153.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' A' ' 37' ' ' LEU . 18.1 mt -156.25 172.18 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -178.46 132.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.836 HD23 HG12 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -98.56 163.84 12.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 2.5 t -145.12 56.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -44.01 128.52 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.746 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -118.39 -2.69 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.519 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER 158.65 142.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.17 138.89 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.486 ' CA ' HD23 ' A' ' 100' ' ' LEU . . . 67.75 14.74 65.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.61 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.9 tt0 -164.13 103.91 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.768 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.004 ' O ' HD23 ' A' ' 98' ' ' LEU . 32.7 m -133.23 170.78 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.546 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 14.1 m-85 -123.2 168.46 12.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.836 HG12 HD23 ' A' ' 60' ' ' LEU . 96.1 mt -145.52 127.18 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.27 103.85 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.502 ' CB ' HG21 ' A' ' 39' ' ' ILE . 1.5 t -64.36 74.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 73' ' ' THR . 13.8 t -45.8 94.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' SER . 2.0 tm-20 166.88 -36.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.9 p -97.56 -102.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.67 39.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.77 -177.14 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 36.3 m-85 -131.53 129.3 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.493 ' HB2' HG22 ' A' ' 70' ' ' ILE . 6.9 tp -45.65 161.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -178.81 175.47 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.409 ' HE2' ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -139.38 113.22 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.534 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 66.3 m-20 -71.71 178.04 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.46 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 33.5 p -58.42 -15.66 11.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -85.9 -6.83 59.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.506 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 67.79 14.19 64.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -90.08 106.81 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 123' ' ' VAL . 6.6 mp -39.15 123.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.534 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 3.4 p90 -148.24 146.14 28.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.84 153.73 31.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.06 133.01 18.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.68 2.88 18.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.454 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 11.5 p -116.09 92.46 35.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.449 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.0 101.45 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -157.19 -152.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.75 68.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.466 ' CB ' ' HG3' ' A' ' 115' ' ' LYS . 11.0 tt0 179.95 -43.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.591 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -79.77 -25.65 40.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 108.3 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.004 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -60.52 177.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.717 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -154.24 119.04 4.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -66.59 100.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -83.54 165.58 18.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.35 81.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 102' ' ' ARG . 3.6 tp -29.56 94.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 102' ' ' ARG . 3.6 tm-20 -60.32 -49.88 75.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.2 tt0 -110.35 -105.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.579 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 42.3 p-10 -150.35 43.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 7.9 m170 -177.16 -58.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.917 ' CD2' HD13 ' A' ' 145' ' ' LEU . 9.6 m-85 -64.15 150.37 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 7.8 m-20 -117.86 65.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.536 ' CG2' HG13 ' A' ' 144' ' ' ILE . 69.7 p -53.78 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.584 ' HB2' HG11 ' A' ' 123' ' ' VAL . 5.2 m-85 -80.09 -170.74 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.637 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -161.25 144.91 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.564 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 30.4 t -55.35 88.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.491 ' HA ' HD12 ' A' ' 100' ' ' LEU . 1.6 tttm -56.17 -24.76 43.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.38 -14.85 58.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.565 ' CD2' ' HE3' ' A' ' 115' ' ' LYS . 0.1 OUTLIER 179.97 72.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.602 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.453 ' HB1' HG21 ' A' ' 112' ' ' ILE . . . -82.21 -1.23 48.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.67 -18.1 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.8 OUTLIER -110.33 7.14 22.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER 61.1 23.8 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 31.3 m0 -55.6 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.637 ' CE2' HD11 ' A' ' 112' ' ' ILE . 6.0 m-85 -74.33 -170.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.664 HG23 HD21 ' A' ' 87' ' ' LEU . 4.5 p -131.85 99.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -152.35 159.31 28.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.688 HD13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -115.76 121.12 41.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 128' ' ' ASN . 0.0 OUTLIER -35.6 131.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -68.05 58.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 126' ' ' LYS . 11.1 m120 -150.8 -45.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 138.09 74.65 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m 169.9 140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.975 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 166.86 5.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 108.275 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 136' ' ' ARG . 11.5 tttt -106.99 154.0 21.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 135' ' ' PRO . 0.0 OUTLIER -96.4 152.05 18.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -43.71 -51.38 6.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -75.06 49.13 2.19 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.1 OUTLIER 169.39 38.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -121.89 73.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.472 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 3.5 m80 -138.12 139.05 39.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.175 . . . . 0.0 109.592 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.696 ' HB2' HD11 ' A' ' 144' ' ' ILE . 13.9 p90 -68.68 -177.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 160.02 -32.59 0.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.539 ' HB2' ' C10' ' A' ' 178' ' ' NTS . 0.6 OUTLIER -123.41 -77.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.413 ' CG ' ' O32' ' A' ' 178' ' ' NTS . 0.0 OUTLIER 173.84 39.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.51 ' HB2' ' C4 ' ' A' ' 178' ' ' NTS . . . -91.28 6.87 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.696 HD11 ' HB2' ' A' ' 139' ' ' TYR . 0.8 OUTLIER -120.44 -23.17 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.917 HD13 ' CD2' ' A' ' 108' ' ' TYR . 4.7 mt -50.63 92.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.494 ' HE2' HG22 ' A' ' 123' ' ' VAL . 1.9 m-85 -95.54 123.92 39.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -107.33 103.02 46.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.56 19.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.7 pp -125.87 79.39 68.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.812 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.97 164.97 32.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.812 HG13 ' O ' ' A' ' 150' ' ' PRO . 1.6 m -164.06 49.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.8 t -75.49 88.2 2.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.4 t -113.24 75.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.539 ' C10' ' HB2' ' A' ' 141' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.72 ' CB ' HG23 ' A' ' 151' ' ' VAL . 18.2 Cg_endo -74.95 84.55 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 4.1 tptt 178.09 128.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.778 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -162.28 123.84 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.626 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -88.36 177.24 6.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.672 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 9.6 t80 -175.44 159.66 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.596 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 61.5 m -80.38 120.73 24.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.314 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.608 ' HB2' ' CE1' ' A' ' 108' ' ' TYR . 52.3 p -30.04 -91.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.652 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.5 t30 -52.5 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' H ' ' ND2' ' A' ' 32' ' ' ASN . . . -61.89 53.33 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . -89.31 -149.95 21.73 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.407 ' HB3' ' C ' ' A' ' 48' ' ' THR . 1.7 m80 -110.71 -172.72 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.632 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 32.1 m-85 -123.0 100.16 6.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.894 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -34.6 148.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.55 ' NH2' HG21 ' A' ' 48' ' ' THR . 3.8 ptp180 -149.11 146.72 27.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.489 HG21 ' CB ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -122.82 117.74 52.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.608 HD12 HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -88.07 141.92 31.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 7.83 2.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.2 -28.94 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.35 18.93 5.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.608 HG22 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.23 141.99 50.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 110.38 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 79' ' ' LEU . 2.3 t -112.48 169.15 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.794 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 173.61 -171.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.653 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -137.66 145.17 16.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.55 HG21 ' NH2' ' A' ' 38' ' ' ARG . 3.3 m -121.76 126.36 48.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' THR . 12.5 ttm180 -38.6 -34.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -148.9 117.91 6.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.38 120.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.5 p -179.16 68.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 4.4 t0 -140.67 -174.37 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.456 ' NE2' ' CG ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -57.82 -39.09 76.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.518 ' CG ' ' HG2' ' A' ' 74' ' ' GLU . 2.4 m-70 -173.99 106.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.626 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -107.89 14.42 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -49.99 149.9 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -147.52 167.64 23.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -174.14 127.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.68 HD23 ' CG1' ' A' ' 70' ' ' ILE . 1.8 mt -93.93 162.42 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.447 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 5.1 t -144.44 51.61 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -39.01 125.95 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.716 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -117.35 -1.66 11.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER 157.63 127.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -38.89 144.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.22 5.46 76.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.729 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.0 tt0 -170.59 105.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.839 ' O ' HD23 ' A' ' 98' ' ' LEU . 34.3 m -125.44 169.47 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 17.1 m-85 -117.39 167.93 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.68 ' CG1' HD23 ' A' ' 60' ' ' LEU . 95.1 mt -146.66 128.71 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -132.45 103.57 6.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.489 ' CB ' HG21 ' A' ' 39' ' ' ILE . 6.0 t -63.01 78.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.509 ' O ' ' CG2' ' A' ' 73' ' ' THR . 1.6 t -51.46 110.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.518 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 18.5 tp10 165.58 -42.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.5 HG23 ' OE1' ' A' ' 77' ' ' GLN . 1.5 t -152.87 50.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.395 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 36.29 85.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.5 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -142.77 127.05 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.32 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 71' ' ' LYS . 41.0 m-85 -110.06 106.8 16.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.486 ' HB2' HG22 ' A' ' 70' ' ' ILE . 5.6 tp -50.67 146.5 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -163.56 -174.54 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.556 ' HE1' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -151.99 116.59 5.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -77.58 178.23 7.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.588 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 21.6 m -57.73 -16.29 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -89.92 10.7 22.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 47.93 23.03 2.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -94.88 104.6 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.986 HD21 HG23 ' A' ' 123' ' ' VAL . 3.1 mp -39.83 124.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.9 p90 -148.19 169.12 20.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -116.25 146.35 18.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 145.45 33.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -78.83 2.8 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 p -116.57 94.24 42.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 100.24 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 96' ' ' GLU . 2.8 m-80 -137.11 -174.27 3.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' ASN . 1.2 mp0 -36.51 -33.4 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 94' ' ' ASN . 7.4 tt0 -65.25 -65.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.7 t -47.57 -36.53 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.326 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.839 HD23 ' O ' ' A' ' 68' ' ' VAL . 2.8 mt -52.27 172.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -154.81 112.29 3.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 111.075 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.598 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -49.52 103.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.707 ' HB2' HG13 ' A' ' 68' ' ' VAL . 1.1 tt0 -87.53 141.44 28.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.629 ' O ' ' C ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -162.13 67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -21.01 95.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.582 ' HG2' HD21 ' A' ' 145' ' ' LEU . 0.7 OUTLIER -50.28 -54.86 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 1.6 tt0 -113.11 -102.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.543 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.6 t30 -143.78 40.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 3.4 m170 179.85 -47.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.544 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.651 ' CD2' HD22 ' A' ' 145' ' ' LEU . 2.4 m-85 -71.55 113.49 8.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 7.8 m120 -89.91 49.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.636 ' CG2' HD23 ' A' ' 145' ' ' LEU . 1.1 p -40.67 99.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.671 ' CE2' HG21 ' A' ' 68' ' ' VAL . 5.1 m-85 -88.62 174.15 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.988 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -155.68 132.42 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.611 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 15.7 t -36.19 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.598 ' HG2' HD12 ' A' ' 100' ' ' LEU . 1.9 tmtm? -67.23 -26.08 66.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.484 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -65.63 -11.64 46.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.611 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -179.92 70.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.83 -3.3 53.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -61.2 -19.23 61.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 3.8 mttt -101.91 -1.02 32.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.543 ' O ' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER 68.87 15.28 8.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.589 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 45.3 m0 -51.15 109.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 108.046 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.988 ' CE1' HD11 ' A' ' 112' ' ' ILE . 29.5 m-85 -90.17 -176.59 4.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.986 HG23 HD21 ' A' ' 87' ' ' LEU . 7.5 p -117.71 22.98 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.501 ' HA3' ' N ' ' A' ' 144' ' ' ILE . . . -98.02 111.71 4.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.894 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -63.3 114.69 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 128' ' ' ASN . 3.7 tmtt? -23.01 112.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.524 ' CE ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -60.91 62.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.682 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -137.02 -41.51 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.51 50.31 0.1 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 131' ' ' CYS . 1.6 t 169.52 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 110.02 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 125' ' ' LEU . 2.5 t -48.11 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 2.5 mptt -141.66 158.89 43.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 135' ' ' PRO . 27.0 ptt180 -85.28 164.22 18.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.576 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -36.15 -58.03 1.05 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.4 Cg_endo -74.96 58.97 5.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 0.0 OUTLIER 177.28 37.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.432 ' CG2' ' C ' ' A' ' 136' ' ' ARG . 3.6 p -149.31 101.22 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.569 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -143.92 -178.83 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.614 ' CD2' ' O62' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -54.97 -159.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 44.25 19.42 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.142 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 143' ' ' ALA . 12.4 mt-30 -128.61 84.92 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.239 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.943 ' HA ' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -33.74 -28.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 141' ' ' GLN . . . -45.7 -41.82 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.635 HD12 ' CE2' ' A' ' 122' ' ' PHE . 18.1 pt -69.3 -34.16 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.943 HD12 ' HA ' ' A' ' 142' ' ' LYS . 11.5 mt -70.44 111.81 6.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.863 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 6.4 m-85 -116.77 135.81 53.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.93 102.64 19.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.6 18.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.613 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.5 pp -132.78 64.57 71.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.641 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.06 -169.37 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.72 HG23 ' CB ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -161.35 28.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.5 t -41.65 102.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 30.7 t -144.41 77.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.982 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.705 ' C7 ' HD11 ' A' ' 145' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 151' ' ' VAL . 70.0 mttt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HZ1' ' HB2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -177.29 145.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.2 pp -149.24 109.97 4.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' HZ1' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -63.57 171.31 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 9.0 t80 -165.36 143.23 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.632 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 10.9 m -77.54 149.58 34.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.649 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -55.39 -163.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.649 ' N ' ' OG ' ' A' ' 31' ' ' SER . 1.9 m-20 -35.5 146.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 34.99 53.99 0.87 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA3' ' CB ' ' A' ' 30' ' ' CYS . . . -123.65 164.58 16.74 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.583 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 2.0 m80 -104.48 176.53 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.593 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 82.6 m-85 -109.85 98.52 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.838 HD12 ' CZ ' ' A' ' 146' ' ' PHE . 0.6 OUTLIER -39.0 132.05 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.506 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 4.5 ptp180 -124.93 173.64 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.644 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.99 143.33 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.644 HD13 ' C ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -111.65 145.19 32.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.01 2.87 6.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.22 -55.81 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.37 44.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.569 ' CB ' HD23 ' A' ' 40' ' ' LEU . 1.3 m -137.62 168.68 19.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.481 ' N ' ' CG2' ' A' ' 44' ' ' THR . 0.2 OUTLIER -148.04 159.76 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 175.86 -173.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.778 ' HA3' HD22 ' A' ' 125' ' ' LEU . . . -134.71 144.56 16.56 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 4.2 m -116.89 126.64 53.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 110.411 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.579 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -37.52 -36.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.477 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -146.61 120.04 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.593 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -36.8 114.75 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 52' ' ' SER . 8.8 p -172.52 65.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.506 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 5.1 t0 -137.07 -175.15 3.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.512 ' CD ' ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -72.11 -17.85 61.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.606 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 1.5 m-70 175.03 110.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.598 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.94 19.3 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -67.92 152.93 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.1 mp -147.91 -173.64 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -178.52 136.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.898 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.492 HD23 HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -102.1 161.81 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 t -145.44 53.55 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.053 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.644 ' CB ' HG12 ' A' ' 68' ' ' VAL . . . -39.35 126.41 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.99 1.9 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 172.66 172.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -73.23 149.73 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.625 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 49.42 21.19 2.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.673 ' OE2' HD13 ' A' ' 98' ' ' LEU . 3.4 tt0 -163.59 109.18 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.734 ' O ' HD23 ' A' ' 98' ' ' LEU . 20.8 m -133.67 165.6 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 8.4 m-85 -107.14 178.22 4.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.579 HD12 ' CD2' ' A' ' 99' ' ' PHE . 21.3 mt -156.33 127.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -133.5 107.92 8.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' GLN . 2.0 t -57.83 83.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 73' ' ' THR . 13.8 t -59.32 82.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.606 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 9.0 tp10 -164.08 -53.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.597 HG23 ' OE1' ' A' ' 77' ' ' GLN . 1.8 t -148.53 63.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.424 ' HA2' ' HZ2' ' A' ' 71' ' ' LYS . . . 35.56 92.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.597 ' OE1' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -154.14 141.15 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 93' ' ' PRO . 29.0 m-85 -122.62 109.37 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.571 HD22 ' CD2' ' A' ' 58' ' ' LEU . 4.7 tp -51.52 139.72 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -162.63 178.54 8.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.49 ' HE3' ' O ' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -140.92 116.11 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -72.78 170.76 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.444 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 5.1 m -56.68 -17.14 7.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.19 2.1 29.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.427 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 60.38 19.05 52.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -102.53 109.77 21.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.774 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.803 HD11 HG23 ' A' ' 123' ' ' VAL . 0.2 OUTLIER -39.48 129.18 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.9 p90 -149.65 170.48 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -112.56 159.03 13.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.32 140.28 19.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 110.042 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -74.82 -1.65 23.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.9 p -116.16 90.94 30.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.468 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.0 97.08 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.54 1.811 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.401 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 0.2 OUTLIER -130.53 -156.7 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -48.53 -34.31 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.497 ' OE2' ' CD ' ' A' ' 115' ' ' LYS . 7.9 tt0 -64.42 -68.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.559 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 2.1 t -41.8 -45.91 3.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 108.306 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 68' ' ' VAL . 5.1 mt -44.9 167.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -146.01 112.56 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -58.38 99.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.549 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -83.43 174.19 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.865 ' CZ ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER 177.07 82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.546 ' C ' ' O ' ' A' ' 102' ' ' ARG . 0.2 OUTLIER -27.99 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.628 ' CD ' HD22 ' A' ' 145' ' ' LEU . 0.9 OUTLIER -68.4 -37.04 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 2.2 tt0 -124.46 -107.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.584 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 8.5 t30 -152.29 37.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 17.2 m170 -169.44 -71.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.639 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.646 ' CG ' ' HB3' ' A' ' 145' ' ' LEU . 25.9 m-85 -49.24 -178.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.632 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 88.1 m-20 -148.54 78.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.61 ' CG2' HG13 ' A' ' 144' ' ' ILE . 73.2 p -68.86 96.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.674 ' HE2' HG21 ' A' ' 68' ' ' VAL . 10.5 m-85 -79.79 178.3 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.865 HD12 ' CZ ' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -155.71 129.67 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.482 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 7.6 t -35.86 102.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.594 ' HA ' HD12 ' A' ' 100' ' ' LEU . 12.6 tttm -68.96 -39.26 79.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.497 ' CD ' ' OE2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -53.55 -20.77 5.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.482 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -172.91 73.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.55 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.66 ' HB1' ' CG2' ' A' ' 112' ' ' ILE . . . -86.04 -4.91 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.41 -14.09 25.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -107.72 1.09 22.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER 65.38 23.39 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.566 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 38.7 m0 -59.35 89.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.01 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.923 ' CE2' HD12 ' A' ' 144' ' ' ILE . 11.0 m-85 -66.89 -173.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.803 HG23 HD11 ' A' ' 87' ' ' LEU . 7.7 p -123.37 21.89 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' A' ' 125' ' ' LEU . . . -82.0 -176.2 51.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.778 HD22 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -147.31 116.64 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.737 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 128' ' ' ASN . 35.2 tttt -37.37 128.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.534 ' CD ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -66.88 58.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 126' ' ' LYS . 15.2 m120 -132.29 -43.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.583 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 131.49 60.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 131' ' ' CYS . 2.1 m 169.72 134.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.746 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 130' ' ' SER . 2.0 t -47.78 172.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 108.297 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.673 ' HB3' HG22 ' A' ' 137' ' ' THR . 7.8 tttt -116.17 145.35 43.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.602 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -78.66 151.51 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.937 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.512 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -34.97 -67.24 0.29 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.95 54.39 3.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 135' ' ' PRO . 4.2 mtt180 -175.88 33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.673 HG22 ' HB3' ' A' ' 132' ' ' LYS . 2.2 p -136.31 103.78 5.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.429 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -157.12 136.9 12.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.632 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.784 ' HB2' HD11 ' A' ' 144' ' ' ILE . 6.3 p90 -65.23 -175.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.489 ' N ' ' CD2' ' A' ' 139' ' ' TYR . . . 154.52 -21.89 0.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.557 ' HB3' ' C4 ' ' A' ' 178' ' ' NTS . 1.4 mp0 -134.05 -76.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.504 ' HB3' HD11 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 169.59 52.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.517 ' HB2' ' C5 ' ' A' ' 178' ' ' NTS . . . -110.88 20.42 17.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.923 HD12 ' CE2' ' A' ' 122' ' ' PHE . 0.7 OUTLIER -130.65 -26.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.646 ' HB3' ' CG ' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -55.77 99.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.838 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 2.8 m-85 -89.29 120.4 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.562 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.4 OUTLIER -104.14 104.24 42.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -74.97 135.84 19.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 149' ' ' LEU . 2.7 pp -132.12 74.3 76.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.889 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.98 164.92 32.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -173.97 62.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.9 t -62.18 80.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 151' ' ' VAL . 12.5 t -128.28 61.98 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.966 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 179.986 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.557 ' C4 ' ' HB3' ' A' ' 141' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.4 Cg_endo -74.97 -26.48 10.94 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -108.91 149.82 28.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 2.5 pp -176.17 146.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -85.48 170.24 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -154.7 127.27 7.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -75.88 120.73 21.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.478 ' OG ' ' CZ ' ' A' ' 108' ' ' TYR . 3.7 t -37.86 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' GLY . 2.9 m120 -99.85 -37.16 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . -36.17 -40.32 0.38 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' ARG . . . 74.31 0.38 57.2 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -96.43 159.28 15.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.636 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 87.1 m-85 -116.79 103.65 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.93 ' HB3' HD13 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -37.77 132.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 1.4 ptp180 -135.96 160.37 38.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.848 ' CG1' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -156.88 152.12 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.709 HD23 ' CG2' ' A' ' 44' ' ' THR . 0.4 OUTLIER -113.74 139.73 23.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.494 ' CD ' ' OE1' ' A' ' 54' ' ' GLN . 18.3 Cg_endo -75.01 4.94 4.3 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.0 -43.0 11.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.83 44.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.709 ' CG2' HD23 ' A' ' 40' ' ' LEU . 2.0 m -142.73 162.21 36.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.848 HG13 ' CG1' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -151.01 161.19 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 171.94 -171.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.932 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -125.9 166.32 18.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 26.7 m -143.94 124.42 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.6 OUTLIER -46.99 -25.06 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.541 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -152.15 128.81 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.561 ' HD2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -52.96 115.54 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -178.02 68.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.505 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 1.5 t0 -141.41 -175.32 4.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.591 HE21 ' N ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -57.18 -36.19 70.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.591 ' N ' HE21 ' A' ' 54' ' ' GLN . 0.6 OUTLIER -179.49 108.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.574 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.462 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -111.28 26.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.418 ' NE2' ' H ' ' A' ' 26' ' ' LYS . 14.3 mt-30 -78.15 124.96 28.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.93 HD13 ' HB3' ' A' ' 37' ' ' LEU . 1.3 mp -138.7 115.07 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 70' ' ' ILE . 10.8 tp-100 -105.74 158.19 16.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.694 HD22 ' OH ' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -107.49 163.45 13.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.0 t -149.96 52.61 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.592 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -44.51 128.98 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -121.98 0.82 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.519 ' O ' ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER 161.78 151.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.9 m -57.97 137.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 72.02 6.1 63.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.545 1.153 . . . . 0.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.685 ' HG2' HD13 ' A' ' 98' ' ' LEU . 3.0 tt0 -156.75 101.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.829 ' O ' HD23 ' A' ' 98' ' ' LEU . 21.7 m -131.55 166.55 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.573 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 24.3 m-85 -117.69 167.84 10.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.847 HD12 ' CD2' ' A' ' 99' ' ' PHE . 94.2 mt -144.13 122.46 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.19 130.38 55.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.504 ' O ' ' C ' ' A' ' 73' ' ' THR . 23.3 t -76.09 69.63 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.504 ' C ' ' O ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -29.14 95.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.405 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.53 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 2.0 tm-20 176.18 -70.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -127.34 59.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 30.54 62.84 0.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.451 ' OE1' ' HA ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -99.71 -165.47 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.416 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 32.7 m-85 -161.06 122.48 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.519 ' HB2' HG22 ' A' ' 70' ' ' ILE . 7.2 tp -76.69 138.45 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.666 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -152.79 174.9 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ttm -137.49 119.53 15.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.2 175.43 6.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.597 ' O ' ' CH2' ' A' ' 121' ' ' TRP . 37.6 m -56.41 -17.88 9.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -90.02 13.04 15.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.501 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 50.9 20.69 4.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.6 tt -94.05 103.48 15.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.946 HD21 ' CG2' ' A' ' 123' ' ' VAL . 8.0 mp -38.18 126.86 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -148.53 158.66 44.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.25 145.19 17.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.78 135.09 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.0 41.5 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.8 p -143.57 90.54 7.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.453 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.96 95.42 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.453 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -160.46 -152.99 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -65.58 72.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 94' ' ' ASN . 9.6 tt0 179.88 -58.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.666 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.3 t -63.66 -35.96 82.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.27 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 68' ' ' VAL . 2.8 mt -45.83 170.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.847 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -149.14 99.62 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.67 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -48.2 100.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 102' ' ' ARG . 4.2 tm-20 -118.95 159.17 24.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.42 ' O ' ' OE2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -151.7 -93.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 102' ' ' ARG . 4.2 tp -176.45 119.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.508 ' HB2' HG21 ' A' ' 110' ' ' THR . 13.2 tm-20 -95.68 -35.57 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.516 ' HG2' ' CE1' ' A' ' 107' ' ' HIS . 2.0 tt0 -130.17 -114.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 1.4 t-20 -137.8 30.13 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.519 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -170.12 -66.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.596 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.932 ' CE2' HD13 ' A' ' 145' ' ' LEU . 7.1 m-85 -38.82 159.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 111' ' ' TYR . 11.4 m120 -132.37 68.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 104' ' ' GLU . 70.0 p -60.27 99.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.694 ' OH ' HD22 ' A' ' 60' ' ' LEU . 15.6 m-85 -79.53 -178.15 6.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.939 HD11 ' CZ ' ' A' ' 122' ' ' PHE . 19.2 mt -156.97 134.69 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.611 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 8.3 t -48.36 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -55.36 -40.19 70.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -20.91 5.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.611 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -168.02 71.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.583 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.67 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -87.35 -8.29 56.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -58.79 -15.58 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.9 OUTLIER -108.01 3.33 23.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 137' ' ' THR . 0.4 OUTLIER 61.39 30.81 19.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 34.1 m0 -64.44 86.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 108.034 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.939 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 15.3 m-85 -71.13 -175.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.946 ' CG2' HD21 ' A' ' 87' ' ' LEU . 14.3 p -125.04 108.56 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -157.52 164.17 32.9 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.932 HD13 ' HA3' ' A' ' 47' ' ' GLY . 1.5 mt -119.21 118.58 31.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ASN . 8.4 tttt -33.81 131.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.532 ' O ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -68.08 59.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -154.85 -44.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.942 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 136.67 78.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.53 151.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.435 ' HA ' HD23 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -69.48 163.38 25.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.34 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.19 157.38 16.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 149.24 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.621 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -43.33 -53.01 5.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.4 Cg_endo -75.03 49.01 2.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.99 39.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -122.52 61.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.482 ' O ' ' S6 ' ' A' ' 178' ' ' NTS . 2.4 m80 -126.92 135.8 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.637 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.744 ' HB2' HD11 ' A' ' 144' ' ' ILE . 11.9 p90 -66.26 -178.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 159.44 -28.68 0.38 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.551 ' HB2' ' C10' ' A' ' 178' ' ' NTS . 0.5 OUTLIER -124.44 -82.22 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 110.249 -179.935 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.427 ' HA ' ' HG ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 174.83 41.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.676 ' HB2' ' C4 ' ' A' ' 178' ' ' NTS . . . -95.56 8.35 43.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.744 HD11 ' HB2' ' A' ' 139' ' ' TYR . 0.9 OUTLIER -120.87 -22.78 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.932 HD13 ' CE2' ' A' ' 108' ' ' TYR . 7.1 mt -51.9 103.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -108.67 118.49 36.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 147' ' ' LEU . 0.6 OUTLIER -110.63 103.64 54.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.524 ' HG3' HD11 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.01 138.91 23.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 149' ' ' LEU . 3.2 pp -124.77 73.45 63.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.891 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.99 163.94 34.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.891 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -173.54 54.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.1 t -61.69 80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 151' ' ' VAL . 12.5 t -133.92 58.16 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.676 ' C4 ' ' HB2' ' A' ' 143' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 24.8 mttp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 18.5 Cg_endo -74.96 -62.49 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' CG ' ' HB3' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -109.4 146.31 34.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.65 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -137.69 116.67 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' A' ' 146' ' ' PHE . 0.3 OUTLIER -91.13 154.36 19.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 71.9 t80 -144.64 132.98 21.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.57 ' SG ' ' CE1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -96.08 105.04 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 32' ' ' ASN . 53.6 p -35.14 -71.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.463 ' N ' ' OG ' ' A' ' 31' ' ' SER . 1.4 t-20 -60.63 120.01 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.56 ' HA3' ' CE1' ' A' ' 35' ' ' HIS . . . 81.75 -10.82 49.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.562 ' HA2' ' CE1' ' A' ' 29' ' ' TYR . . . 48.47 37.49 19.26 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' ' HA3' ' A' ' 33' ' ' GLY . 77.1 m80 -78.93 154.89 29.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.486 ' O ' ' C ' ' A' ' 37' ' ' LEU . 94.7 m-85 -121.12 97.8 5.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.838 ' HG ' HD11 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -33.72 147.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.527 ' CB ' HG22 ' A' ' 56' ' ' ILE . 7.6 ptp180 -143.68 131.68 21.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.905 HD11 HD13 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -110.18 111.35 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.576 HD12 HG22 ' A' ' 44' ' ' THR . 0.7 OUTLIER -86.86 141.8 33.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 8.98 2.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.447 1.761 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -29.29 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.02 17.05 5.54 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.576 HG22 HD12 ' A' ' 40' ' ' LEU . 1.1 m -119.7 137.7 53.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 110.373 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.453 HG12 ' H ' ' A' ' 46' ' ' ASP . 2.3 t -116.22 169.53 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.607 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER 171.43 -171.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.87 ' HA3' HD13 ' A' ' 125' ' ' LEU . . . -127.52 154.85 19.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' PHE . 65.4 m -129.37 123.37 31.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -38.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.483 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 2.9 m-20 -144.28 125.45 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.8 103.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 p -155.21 56.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -129.08 -168.53 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.566 ' NE2' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -78.58 -41.25 32.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -159.21 101.55 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.614 179.941 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.827 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.2 pp -119.07 9.69 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 55' ' ' HIS . 11.4 mp0 -58.35 152.76 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 56' ' ' ILE . 1.9 mp -145.21 178.17 8.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' OE1' ' CD ' ' A' ' 26' ' ' LYS . 3.7 tp-100 -177.88 153.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.719 HD13 ' OH ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -113.37 164.25 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 3.7 t -145.97 56.3 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.65 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -39.77 127.91 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.778 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -118.93 -1.93 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.247 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.13 137.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -43.14 137.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 100' ' ' LEU . . . 72.28 10.85 75.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.76 ' HG2' HD22 ' A' ' 98' ' ' LEU . 2.4 tt0 -163.5 104.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 110.26 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.951 ' O ' HD23 ' A' ' 98' ' ' LEU . 27.7 m -130.3 167.33 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.542 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 8.9 m-85 -116.52 169.63 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.011 HD12 ' CD2' ' A' ' 99' ' ' PHE . 86.2 mt -146.91 125.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -132.11 113.63 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.792 ' HB2' HD13 ' A' ' 39' ' ' ILE . 1.3 t -68.17 71.15 0.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 73' ' ' THR . 14.9 t -50.99 89.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 73' ' ' THR . 2.4 mm-40 159.45 -25.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.2 m -108.5 -29.51 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.81 15.61 57.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.458 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -112.82 -172.85 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 20.9 m-85 -132.46 149.11 52.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.905 HD13 HD11 ' A' ' 39' ' ' ILE . 10.1 tp -86.64 114.65 23.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -137.14 169.4 17.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.01 98.92 4.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.563 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 44.0 m-20 -54.78 170.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.643 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 1.1 p -60.41 -14.21 17.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -72.8 -15.87 61.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' CA ' ' CZ3' ' A' ' 121' ' ' TRP . . . 79.5 15.17 80.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -113.23 114.22 26.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.869 HD21 HG23 ' A' ' 123' ' ' VAL . 6.7 mp -40.22 134.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' A' ' 89' ' ' GLY . 2.1 p90 -151.02 170.74 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' A' ' 88' ' ' TYR . . . -88.5 147.77 20.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -146.12 113.37 6.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.985 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -0.38 20.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.444 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 11.1 p -116.43 94.6 43.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.459 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -74.98 100.79 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -158.27 -149.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -65.93 68.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' ASN . 8.4 tt0 179.86 -48.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 1.5 t -70.75 -37.33 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.951 HD23 ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -47.63 173.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 1.011 ' CD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -148.76 101.2 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.514 HD13 ' CB ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -55.38 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 111' ' ' TYR . 12.9 tm-20 -118.8 167.2 11.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -153.8 -89.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.284 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.838 HD11 ' HA ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER 179.24 125.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.729 ' OE2' HD13 ' A' ' 145' ' ' LEU . 22.5 tt0 -96.17 -33.41 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.602 ' O ' HD21 ' A' ' 103' ' ' LEU . 3.3 mm-40 -130.11 -97.83 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.838 ' HA ' HD11 ' A' ' 103' ' ' LEU . 5.1 t30 -166.99 52.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 4.6 m170 -179.95 -62.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.604 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.592 ' CD2' ' CD1' ' A' ' 145' ' ' LEU . 9.7 m-85 -60.77 -172.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.501 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 6.0 m120 -153.59 84.33 1.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.658 HG21 ' HB2' ' A' ' 104' ' ' GLU . 17.9 p -72.16 102.13 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.719 ' OH ' HD13 ' A' ' 60' ' ' LEU . 13.8 m-85 -78.98 -178.19 5.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.493 HD11 ' CE2' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -159.28 114.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 112' ' ' ILE . 23.8 p -33.01 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.581 ' HE3' HD13 ' A' ' 98' ' ' LEU . 4.2 tttm -55.76 -25.26 39.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.643 ' NZ ' HG23 ' A' ' 83' ' ' THR . 0.3 OUTLIER -82.48 -4.81 58.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.743 ' CE1' ' CZ3' ' A' ' 121' ' ' TRP . 0.4 OUTLIER -148.29 31.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.602 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.514 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -66.69 -10.85 50.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.96 -22.16 53.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -108.32 3.63 23.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER 56.95 29.43 16.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.886 ' HA ' HG23 ' A' ' 137' ' ' THR . 27.9 m0 -64.16 81.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' A' ' 144' ' ' ILE . 13.0 m-85 -58.37 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.869 HG23 HD21 ' A' ' 87' ' ' LEU . 13.1 p -121.11 109.48 25.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -163.13 150.63 19.67 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.87 HD13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -105.34 125.46 51.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 128' ' ' ASN . 10.7 tttt -35.05 130.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 59.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 126' ' ' LYS . 10.3 m120 -156.55 -43.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 139.81 69.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.5 t 174.71 144.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.972 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.6 178.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.348 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -85.06 -155.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.675 ' O ' ' C ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -156.65 100.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.894 ' O ' HG22 ' A' ' 137' ' ' THR . . . 2.44 -80.56 0.0 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ARG . 18.4 Cg_endo -74.95 58.5 4.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER 169.33 40.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.894 HG22 ' O ' ' A' ' 134' ' ' GLY . 0.5 OUTLIER -135.49 59.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.547 ' C ' ' O61' ' A' ' 178' ' ' NTS . 1.6 m80 -118.61 134.48 55.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.863 ' HB2' HD11 ' A' ' 144' ' ' ILE . 8.1 p90 -54.93 -167.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 131.35 -2.35 5.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.553 ' CD ' ' C4 ' ' A' ' 178' ' ' NTS . 25.9 mp0 -143.74 -101.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.43 ' O ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -165.06 23.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.613 ' HB3' ' C5 ' ' A' ' 178' ' ' NTS . . . -75.67 -6.09 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.863 HD11 ' HB2' ' A' ' 139' ' ' TYR . 1.6 pt -115.83 -12.06 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.729 HD13 ' OE2' ' A' ' 104' ' ' GLU . 4.1 tp -58.11 82.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.738 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.8 m-85 -89.07 121.31 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 149' ' ' LEU . 0.8 OUTLIER -113.65 106.88 53.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.401 ' HD2' HD22 ' A' ' 147' ' ' LEU . 18.3 Cg_endo -74.99 119.83 5.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.456 1.766 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -125.52 73.74 68.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.819 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.0 168.63 24.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.819 HG13 ' O ' ' A' ' 150' ' ' PRO . 2.3 m -163.79 38.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' VAL . 11.2 t -37.78 97.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 151' ' ' VAL . 93.6 p -132.96 28.0 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.685 ' O62' HG23 ' A' ' 144' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -159.05 138.33 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -146.34 118.74 8.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -80.89 164.59 22.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 21.8 t80 -138.82 138.64 37.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 143' ' ' ALA . 0.1 OUTLIER -91.01 136.47 33.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 108.298 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.3 t -65.88 -73.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.449 ' ND2' ' O33' ' A' ' 178' ' ' NTS . 2.4 m-20 -78.64 136.57 37.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -18.21 39.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.511 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . 64.7 9.65 40.05 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.573 ' HE2' ' CA ' ' A' ' 129' ' ' GLY . 27.5 m80 -56.26 168.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.61 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 51.6 m-85 -140.78 105.17 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.76 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -34.89 142.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.744 ' HB2' HG22 ' A' ' 56' ' ' ILE . 3.9 ptp180 -144.9 159.46 42.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.838 HD12 HG13 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -147.61 151.82 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.618 HD23 ' CG2' ' A' ' 44' ' ' THR . 0.5 OUTLIER -109.38 143.14 27.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 3.98 5.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.08 -48.69 7.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.17 45.16 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.618 ' CG2' HD23 ' A' ' 40' ' ' LEU . 1.5 m -143.16 166.07 25.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.838 HG13 HD12 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -143.51 163.93 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 172.27 -171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.47 177.07 17.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.552 1.157 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.505 ' OG1' ' CZ ' ' A' ' 38' ' ' ARG . 29.9 m -154.24 123.13 6.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HA ' ' CG ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -34.94 -40.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -143.41 124.66 14.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HD2' HD13 ' A' ' 27' ' ' LEU . 2.8 ptt180 -47.18 119.49 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 179.98 69.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.497 ' CG ' ' CZ ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -141.14 -175.62 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.743 ' H ' ' NE2' ' A' ' 54' ' ' GLN . 3.3 mp0 -51.86 -47.14 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD ' ' A' ' 74' ' ' GLU . 3.1 m-70 -169.42 103.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.3 pp -106.83 13.59 8.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -64.95 149.11 50.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -143.31 -172.97 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.537 ' CB ' HG23 ' A' ' 73' ' ' THR . 4.8 tp60 -177.27 134.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.527 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -97.53 161.12 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 t -144.39 51.54 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.422 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -40.07 126.0 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.76 -2.44 12.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER 159.35 132.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -41.14 137.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.61 -7.21 58.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.847 ' HG2' HD22 ' A' ' 98' ' ' LEU . 3.3 tt0 -151.21 104.76 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.965 ' O ' HD23 ' A' ' 98' ' ' LEU . 32.8 m -128.83 166.28 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.56 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 21.1 m-85 -120.23 167.35 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.768 HD12 ' HD2' ' A' ' 99' ' ' PHE . 96.8 mt -143.27 125.62 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.584 ' HZ2' ' HA2' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -124.45 105.85 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.506 ' CB ' ' HG1' ' A' ' 75' ' ' THR . 8.8 t -55.91 86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.537 HG23 ' CB ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -56.2 83.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 0.0 110.399 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 55' ' ' HIS . 3.4 mm-40 159.84 -48.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.775 HG21 HG23 ' A' ' 39' ' ' ILE . 40.4 p -80.92 -11.77 59.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.584 ' HA2' ' HZ2' ' A' ' 71' ' ' LYS . . . 68.18 4.74 37.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -102.0 -164.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 58.5 m-85 -131.54 159.5 38.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.793 HD13 ' H ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -89.7 154.56 19.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.793 ' H ' HD13 ' A' ' 79' ' ' LEU . . . -173.54 174.28 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.584 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -136.26 96.54 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.575 ' O ' ' CE1' ' A' ' 116' ' ' HIS . 58.4 m-20 -49.32 169.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.491 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 1.4 p -60.27 -14.03 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 21.07 3.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 44.9 25.02 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tt -104.34 108.06 19.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.652 HD21 HG23 ' A' ' 123' ' ' VAL . 8.1 mp -39.87 122.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.543 ' CG ' ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -150.52 162.03 41.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 110.999 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -114.14 158.7 14.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.15 161.05 39.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -88.21 39.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.2 p -145.35 91.96 5.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 97' ' ' CYS . 18.3 Cg_endo -74.96 85.95 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.422 HD22 ' N ' ' A' ' 94' ' ' ASN . 2.2 m-80 -129.3 -175.05 3.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER -38.68 -34.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.239 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -64.83 -65.56 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.679 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -50.16 -28.86 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.965 HD23 ' O ' ' A' ' 68' ' ' VAL . 1.2 mt -64.73 168.25 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.768 ' HD2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -145.26 100.63 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.482 HD12 ' HG3' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -43.13 101.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.936 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.477 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER -110.1 145.76 36.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.808 HH21 HD12 ' A' ' 112' ' ' ILE . 3.0 ptt180 -142.12 -94.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 103' ' ' LEU . 0.2 OUTLIER 178.76 121.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.986 ' OE2' HD21 ' A' ' 145' ' ' LEU . 3.9 tm-20 -95.93 -45.54 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CG ' ' OE1' ' A' ' 104' ' ' GLU . 3.2 mm-40 -129.96 -103.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.557 ' C ' ' CG ' ' A' ' 107' ' ' HIS . 2.2 t30 -161.78 42.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.557 ' CG ' ' C ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -162.94 -51.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.619 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 1.073 ' CE2' HD23 ' A' ' 145' ' ' LEU . 4.5 m-85 -81.57 -171.65 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.606 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 5.1 m120 -152.14 65.8 0.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 104' ' ' GLU . 41.2 p -48.53 121.22 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.606 ' CE1' ' O ' ' A' ' 109' ' ' ASN . 3.0 m-85 -106.12 171.59 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.005 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.9 OUTLIER -150.63 120.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 116' ' ' HIS . 17.1 t -37.6 102.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HG3' HD12 ' A' ' 100' ' ' LEU . 20.0 tttm -59.72 -27.39 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -64.97 -26.06 68.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.608 ' CE1' ' OG ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -155.59 64.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.627 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 112' ' ' ILE . . . -89.28 -9.8 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.65 -7.58 45.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -111.77 -1.9 15.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.23 42.21 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 119' ' ' LYS . 44.1 m0 -84.0 77.53 9.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.046 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 1.005 ' CE1' HD11 ' A' ' 112' ' ' ILE . 15.6 m-85 -54.52 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.652 HG23 HD21 ' A' ' 87' ' ' LEU . 12.6 p -117.09 22.0 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.478 ' HA3' ' CG2' ' A' ' 144' ' ' ILE . . . -88.26 104.39 3.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.76 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -59.96 125.02 22.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -30.79 123.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.448 ' HD3' ' C ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -67.1 58.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.1 t-20 -141.41 -43.65 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.573 ' CA ' ' HE2' ' A' ' 35' ' ' HIS . . . 127.11 67.43 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.89 132.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.621 ' SG ' HD23 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -64.89 159.53 22.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.287 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -116.22 -179.41 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.36 140.45 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.4 ' HA2' ' CH2' ' A' ' 121' ' ' TRP . . . 62.2 -140.48 46.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.448 ' O ' ' NE ' ' A' ' 136' ' ' ARG . 18.1 Cg_endo -75.01 77.09 3.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.448 ' NE ' ' O ' ' A' ' 135' ' ' PRO . 0.4 OUTLIER -160.07 26.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.455 ' H ' ' CE1' ' A' ' 138' ' ' HIS . 0.7 OUTLIER -152.36 92.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.455 ' CE1' ' H ' ' A' ' 137' ' ' THR . 0.6 OUTLIER -140.91 -170.41 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.564 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.642 ' CD2' ' O62' ' A' ' 178' ' ' NTS . 0.0 OUTLIER -55.8 -160.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.72 7.22 20.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.515 ' C ' ' N ' ' A' ' 143' ' ' ALA . 39.9 mt-30 -138.58 100.25 4.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.752 ' HG3' HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -49.13 -14.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.515 ' N ' ' C ' ' A' ' 141' ' ' GLN . . . -49.56 -27.18 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.65 HG13 HD12 ' A' ' 145' ' ' LEU . 5.2 pt -73.6 -30.0 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 1.073 HD23 ' CE2' ' A' ' 108' ' ' TYR . 10.7 mp -68.77 85.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.441 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 4.8 m-85 -91.32 119.31 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.479 ' HA ' HD22 ' A' ' 147' ' ' LEU . 0.7 OUTLIER -101.37 108.11 53.74 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -74.98 128.48 11.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.629 ' O ' HD12 ' A' ' 149' ' ' LEU . 1.8 pp -132.92 66.06 75.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.887 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.4 Cg_endo -74.96 167.27 27.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -172.2 47.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 13.9 t -43.25 96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 151' ' ' VAL . 41.4 t -134.23 59.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.642 ' O62' ' CD2' ' A' ' 139' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.598 ' CB ' HG23 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -75.01 -45.04 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -89.95 128.41 36.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.686 HD13 ' CD1' ' A' ' 36' ' ' PHE . 1.7 pp -174.04 126.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.234 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -84.17 156.13 22.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 30' ' ' CYS . 45.2 t80 -155.65 136.94 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.629 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -76.24 165.63 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 108.289 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -95.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 34' ' ' GLY . 10.6 t30 -53.98 117.87 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.163 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 32' ' ' ASN . . . 33.18 34.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.547 ' HA3' ' CB ' ' A' ' 30' ' ' CYS . . . -51.4 160.28 1.96 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CD2' ' HA2' ' A' ' 129' ' ' GLY . 0.6 OUTLIER -106.55 -157.26 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.739 . . . . 0.0 109.553 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CD1' HD13 ' A' ' 27' ' ' LEU . 92.8 m-85 -141.06 84.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.752 ' HG ' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -35.77 153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -143.35 158.33 43.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.599 HD12 ' CG ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -125.08 107.03 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -87.42 141.96 32.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 8.83 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.36 -31.65 13.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.14 21.46 4.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.685 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.1 m -121.04 131.35 54.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 0.741 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.535 ' CG2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -110.72 166.29 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.59 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 175.73 -172.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.45 ' N ' HD22 ' A' ' 125' ' ' LEU . . . -132.78 138.18 9.95 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.475 ' OG1' ' NE ' ' A' ' 38' ' ' ARG . 78.7 m -115.91 123.48 48.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -40.49 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -128.22 113.34 15.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.589 ' HD3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -51.19 121.48 6.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.43 ' O ' ' OG ' ' A' ' 52' ' ' SER . 0.7 OUTLIER 179.45 70.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' CG ' ' OE1' ' A' ' 54' ' ' GLN . 22.8 t0 -140.75 -176.78 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.556 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 3.3 pm0 -52.73 -40.08 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 54' ' ' GLN . 18.5 m-70 -173.45 106.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.63 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -110.61 16.54 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.405 ' OE1' HG23 ' A' ' 73' ' ' THR . 0.3 OUTLIER -67.35 128.5 36.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -121.26 172.42 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 2.0 tp-100 -169.91 139.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD13 ' OH ' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -101.21 161.22 13.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . 4.5 t -145.74 52.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 68' ' ' VAL . . . -42.49 126.77 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.792 ' HG2' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -115.98 -2.85 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER 159.0 130.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -39.12 142.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.24 4.22 67.87 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.692 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.5 tt0 -165.23 103.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.319 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.885 HG21 ' CE2' ' A' ' 111' ' ' TYR . 35.8 m -128.41 168.02 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 98' ' ' LEU . 16.5 m-85 -117.45 166.1 12.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.531 HD12 ' CD2' ' A' ' 99' ' ' PHE . 70.2 mt -145.6 130.0 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -135.8 128.0 29.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.521 ' N ' ' HZ2' ' A' ' 71' ' ' LYS . 16.2 t -82.09 70.09 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 73' ' ' THR . 11.8 t -38.53 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.527 ' HG2' ' CG ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 175.54 -51.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 75' ' ' THR . 15.1 t -138.01 46.08 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 75' ' ' THR . . . 37.01 48.61 1.42 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.599 ' CG ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -109.56 114.1 27.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 51.4 m-85 -91.73 154.93 18.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 79' ' ' LEU . 8.7 tp -97.74 144.99 26.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.729 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . . . -166.24 -178.62 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.648 ' HG3' HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -143.04 115.15 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.574 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 34.5 m-20 -73.16 170.96 13.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 m -55.62 -18.08 6.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.88 7.66 20.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 134' ' ' GLY . . . 55.32 17.85 12.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 1.4 tt -96.39 105.54 17.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.648 HD12 ' HG3' ' A' ' 81' ' ' MET . 3.4 mp -38.62 134.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.574 ' CE1' ' OD1' ' A' ' 82' ' ' ASP . 1.6 p90 -161.73 164.4 29.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 78' ' ' TYR . . . -116.58 164.0 12.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.99 153.41 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 91' ' ' GLN . 10.7 tt0 -78.7 2.89 18.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.2 p -116.1 90.6 29.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.459 ' C ' ' ND2' ' A' ' 94' ' ' ASN . 18.4 Cg_endo -75.03 109.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 93' ' ' PRO . 3.0 m-80 -148.55 -172.85 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 98' ' ' LEU . 1.9 mp0 -37.77 -31.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 94' ' ' ASN . 4.6 tt0 -66.86 -59.07 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.729 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 17.3 t -60.2 -26.0 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.294 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.0 mt -59.95 174.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -153.61 114.3 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.596 HD12 ' HG2' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -57.19 101.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 6.9 tt0 -78.81 162.7 25.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER 179.73 86.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.558 HD21 ' N ' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -35.76 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 102' ' ' ARG . 2.8 tm-20 -52.67 -43.27 65.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -126.56 -104.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.569 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 7.0 t30 -137.55 24.09 2.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 106' ' ' ASN . 69.7 m-70 -165.81 -66.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.988 ' CD2' HD23 ' A' ' 145' ' ' LEU . 23.3 m-85 -49.91 131.07 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.625 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 10.0 m120 -109.1 80.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.555 ' CG2' HG13 ' A' ' 144' ' ' ILE . 57.9 p -72.87 96.87 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.885 ' CE2' HG21 ' A' ' 68' ' ' VAL . 18.0 m-85 -79.62 179.63 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.931 HD11 ' CE1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -157.3 136.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.648 ' HG ' ' CE1' ' A' ' 116' ' ' HIS . 5.8 t -38.34 106.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.596 ' HG2' HD12 ' A' ' 100' ' ' LEU . 3.4 tmtm? -74.1 -16.31 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.485 ' C ' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -80.24 -8.99 59.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.648 ' CE1' ' HG ' ' A' ' 113' ' ' SER . 0.1 OUTLIER 179.87 63.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 112' ' ' ILE . . . -76.31 -10.36 59.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -59.34 -15.43 16.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.549 ' HB3' ' CD1' ' A' ' 121' ' ' TRP . 0.5 OUTLIER -101.57 -3.2 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.07 19.61 7.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 45.9 m0 -59.23 108.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.931 ' CE1' HD11 ' A' ' 112' ' ' ILE . 16.4 m-85 -88.9 178.85 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.585 ' HB ' ' CZ ' ' A' ' 99' ' ' PHE . 7.5 p -112.34 9.64 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.54 ' HA2' ' CZ ' ' A' ' 146' ' ' PHE . . . -85.79 102.97 2.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.752 HD11 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.8 121.48 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 128' ' ' ASN . 20.0 tttt -23.76 117.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.484 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -63.62 60.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.622 ' N ' ' O ' ' A' ' 126' ' ' LYS . 1.8 t-20 -140.13 -44.66 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.516 ' HA2' ' CD2' ' A' ' 35' ' ' HIS . . . 131.54 59.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m 168.54 125.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 1.7 t -45.04 162.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -134.78 133.95 40.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -58.8 163.83 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 121' ' ' TRP . . . -40.49 -56.84 2.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 134' ' ' GLY . 18.3 Cg_endo -74.99 54.97 3.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.465 ' HB3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -174.35 33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 122' ' ' PHE . 7.6 p -145.51 96.55 2.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.427 ' O ' ' O ' ' A' ' 139' ' ' TYR . 0.1 OUTLIER -143.6 171.2 14.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.641 ' CD2' ' O63' ' A' ' 178' ' ' NTS . 0.1 OUTLIER -53.96 -165.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.461 ' C ' ' NE2' ' A' ' 141' ' ' GLN . . . 72.12 -8.12 6.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.445 1.09 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.468 ' N ' ' H5 ' ' A' ' 178' ' ' NTS . 8.9 mp0 -125.88 121.65 33.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.671 ' HA ' HD13 ' A' ' 145' ' ' LEU . 60.8 mttt -64.9 -2.63 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.565 ' O ' ' SG ' ' A' ' 30' ' ' CYS . . . -57.03 -22.75 41.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.684 HD11 ' O61' ' A' ' 178' ' ' NTS . 2.4 pt -89.03 -26.86 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.988 HD23 ' CD2' ' A' ' 108' ' ' TYR . 8.3 mp -72.92 93.39 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.617 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 9.8 m-85 -100.37 121.46 41.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -106.98 103.89 49.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.4 ' C ' ' HD3' ' A' ' 150' ' ' PRO . 18.2 Cg_endo -74.99 135.56 19.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.803 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.83 ' O ' HD12 ' A' ' 149' ' ' LEU . 3.1 pp -131.31 66.66 79.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.881 ' O ' HG13 ' A' ' 151' ' ' VAL . 18.3 Cg_endo -74.96 167.24 27.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -171.91 51.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.9 t -58.18 85.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 151' ' ' VAL . 31.3 t -150.8 81.87 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.987 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' NTS . . . . . 0.684 ' O61' HD11 ' A' ' 144' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_